1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine

C134H271N21O8 — CID 165024674

IUPAC1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CC(C)(C)C)CC1.CC(=O)N1CCN2CCN(CC(C)(C)C)CC2C1.CC(C)(C)C(=O)N1CCN2CCOCC2C1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)CN1CC(C)(C)C1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCN2CCOCC2C1.CC(N1CCCCC1)C(C)(C)C.CC1CN(CC(C)(C)C)C1.CN1CCN(CC(C)(C)C)CC1.CN1CCN2CCN(CC(C)(C)C)CC2C1.COCCN1CCN(CC(C)(C)C)CC1=O
InChIInChI=1S/C14H27N3O.C13H27N3.C12H22N2O2.C12H24N2O2.C12H24N2O.C12H24N2.C11H23N.C10H22N2.2C10H21N.C9H17NO2.C9H19N/c1-12(18)17-8-7-16-6-5-15(9-13(16)10-17)11-14(2,3)4;1-13(2,3)11-15-6-8-16-7-5-14(4)9-12(16)10-15;1-12(2,3)11(15)14-5-4-13-6-7-16-9-10(13)8-14;1-12(2,3)10-13-5-6-14(7-8-16-4)11(15)9-13;1-12(2,3)10-13-4-5-14-6-7-15-9-11(14)8-13;1-11(2)14-8-6-13(7-9-14)10-12(3,4)5;1-10(11(2,3)4)12-8-6-5-7-9-12;1-10(2,3)9-12-7-5-11(4)6-8-12;1-9(2,3)6-11-7-10(4,5)8-11;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-8-5-10(6-8)7-9(2,3)4/h13H,5-11H2,1-4H3;12H,5-11H2,1-4H3;10H,4-9H2,1-3H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;1,6-10H2,2-5H3;10H,5-9H2,1-4H3;5-9H2,1-4H3;6-8H2,1-5H3;4-9H2,1-3H3;4-7H2,1-3H3;8H,5-7H2,1-4H3
InChIKeyLROQKURPXCBALF-UHFFFAOYSA-N
MW2304.78 g/mol
LogP18.43
Rot. Bonds14

About 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine

1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine (PubChem CID 165024674) has the molecular formula C134H271N21O8 and a molecular weight of 2304.78 g/mol. Its IUPAC name is 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine
PubChem CID165024674
Molecular FormulaC134H271N21O8
Molecular Weight2304.78 g/mol
Exact Mass2303.14
IUPAC Name1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CC(C)(C)C)CC1.CC(=O)N1CCN2CCN(CC(C)(C)C)CC2C1.CC(C)(C)C(=O)N1CCN2CCOCC2C1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)CN1CC(C)(C)C1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCN2CCOCC2C1.CC(N1CCCCC1)C(C)(C)C.CC1CN(CC(C)(C)C)C1.CN1CCN(CC(C)(C)C)CC1.CN1CCN2CCN(CC(C)(C)C)CC2C1.COCCN1CCN(CC(C)(C)C)CC1=O
InChIInChI=1S/C14H27N3O.C13H27N3.C12H22N2O2.C12H24N2O2.C12H24N2O.C12H24N2.C11H23N.C10H22N2.2C10H21N.C9H17NO2.C9H19N/c1-12(18)17-8-7-16-6-5-15(9-13(16)10-17)11-14(2,3)4;1-13(2,3)11-15-6-8-16-7-5-14(4)9-12(16)10-15;1-12(2,3)11(15)14-5-4-13-6-7-16-9-10(13)8-14;1-12(2,3)10-13-5-6-14(7-8-16-4)11(15)9-13;1-12(2,3)10-13-4-5-14-6-7-15-9-11(14)8-13;1-11(2)14-8-6-13(7-9-14)10-12(3,4)5;1-10(11(2,3)4)12-8-6-5-7-9-12;1-10(2,3)9-12-7-5-11(4)6-8-12;1-9(2,3)6-11-7-10(4,5)8-11;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-8-5-10(6-8)7-9(2,3)4/h13H,5-11H2,1-4H3;12H,5-11H2,1-4H3;10H,4-9H2,1-3H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;1,6-10H2,2-5H3;10H,5-9H2,1-4H3;5-9H2,1-4H3;6-8H2,1-5H3;4-9H2,1-3H3;4-7H2,1-3H3;8H,5-7H2,1-4H3
InChIKeyLROQKURPXCBALF-UHFFFAOYSA-N
XLogP18.43
TPSA173.24 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds14
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002304.78
LogP ≤ 518.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine with MolForge

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Related Compounds

(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 161070530
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine
CID 142368232
1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane
CID 158519525
(3'R,4S,6'R,11'S,12'R)-7'-[[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]-7-chloro-7'-hydroxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'R,7'R,11'S,12'R)-7'-[[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]-7-chloro-7'-hydroxy-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'R,7'R,11'S,12'R)-7-chloro-7'-hydroxy-11',12'-dimethyl-13',13'-dioxo-7'-[(3-oxo-4-propylpiperazin-1-yl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'R,7'S,11'S,12'R)-7-chloro-7'-hydroxy-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one
CID 159192429
(3'R,4S,6'R,7'R,11'S,12'R)-7'-[[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]-7-chloro-7'-methoxy-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'R,7'S,11'S,12'R)-7'-[[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]-7-chloro-7'-methoxy-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'R,7'S,11'S,12'R)-7'-[[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]methyl]-7-chloro-7'-methoxy-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'R,7'R,11'S,12'R)-7-chloro-7'-methoxy-11',12'-dimethyl-13'-methylidene-7'-[(4-methyl-3-oxopiperazin-1-yl)methyl]-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one;(3'R,4S,6'R,7'R,11'S,12'R)-7-chloro-7'-methoxy-7'-[[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]methyl]-11',12'-dimethyl-13'-methylidene-13'-oxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-triene]-15'-one
CID 158226214
(3aR,6aS)-2-methyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;(3aR,6aS)-2-methyl-5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;N',N'-diethyl-N-methyl-N-propan-2-ylethane-1,2-diamine;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;N,N'-dimethyl-N'-propan-2-yl-N-propylethane-1,2-diamine;3-methoxy-N,N-dimethyl-2-propan-2-yloxypropan-1-amine;3-methoxy-1-propan-2-ylpyrrolidine;N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-methyl-N-(2-morpholin-4-ylethyl)propan-2-amine;N-methyl-N-(2-piperidin-1-ylethyl)propan-2-amine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane;2-methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane;9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecane;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone;bis(1-(2-propan-2-yloxyethyl)piperidine)
CID 157128464
4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one
CID 20660448
2-(2-methoxyethyl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896376
1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
CID 162058346
1-[3-(3-morpholin-4-ylpiperidin-1-yl)butyl]-4-propan-2-ylpiperazin-2-one
CID 164926799
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine (CID 165024674) is 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(CC(C)(C)C)CC1.CC(=O)N1CCN2CCN(CC(C)(C)C)CC2C1.CC(C)(C)C(=O)N1CCN2CCOCC2C1.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)CN1CC(C)(C)C1.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCN2CCOCC2C1.CC(N1CCCCC1)C(C)(C)C.CC1CN(CC(C)(C)C)C1.CN1CCN(CC(C)(C)C)CC1.CN1CCN2CCN(CC(C)(C)C)CC2C1.COCCN1CCN(CC(C)(C)C)CC1=O.
What is the InChIKey of 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine?
The InChIKey is LROQKURPXCBALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.C13H27N3.C12H22N2O2.C12H24N2O2.C12H24N2O.C12H24N2.C11H23N.C10H22N2.2C10H21N.C9H17NO2.C9H19N/c1-12(18)17-8-7-16-6-5-15(9-13(16)10-17)11-14(2,3)4;1-13(2,3)11-15-6-8-16-7-5-14(4)9-12(16)10-15;1-12(2,3)11(15)14-5-4-13-6-7-16-9-10(13)8-14;1-12(2,3)10-13-5-6-14(7-8-16-4)11(15)9-13;1-12(2,3)10-13-4-5-14-6-7-15-9-11(14)8-13;1-11(2)14-8-6-13(7-9-14)10-12(3,4)5;1-10(11(2,3)4)12-8-6-5-7-9-12;1-10(2,3)9-12-7-5-11(4)6-8-12;1-9(2,3)6-11-7-10(4,5)8-11;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-8-5-10(6-8)7-9(2,3)4/h13H,5-11H2,1-4H3;12H,5-11H2,1-4H3;10H,4-9H2,1-3H3;5-10H2,1-4H3;11H,4-10H2,1-3H3;1,6-10H2,2-5H3;10H,5-9H2,1-4H3;5-9H2,1-4H3;6-8H2,1-5H3;4-9H2,1-3H3;4-7H2,1-3H3;8H,5-7H2,1-4H3.
What are the key properties of 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine?
1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine has a molecular weight of 2304.78 g/mol, XLogP of 18.43, 14 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-2,2-dimethylpropan-1-one;1-(3,3-dimethylbutan-2-yl)piperidine;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-[8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]ethanone;8-(2,2-dimethylpropyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;1-(2,2-dimethylpropyl)-3,3-dimethylazetidine;4-(2,2-dimethylpropyl)-1-(2-methoxyethyl)piperazin-2-one;2-(2,2-dimethylpropyl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-(2,2-dimethylpropyl)-3-methylazetidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;1-(2,2-dimethylpropyl)piperidine;1-(2,2-dimethylpropyl)-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 165024674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).