3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate

C137H243N27O5 — CID 158658227

IUPAC3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C14H22N2.C14H27N.2C13H21N3.2C12H20N4.C12H24N2O2.C12H23NO.C11H23N3O.C10H20N2O/c2*1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5;1-9(13)11-5-7-12(8-6-11)10(2,3)4/h2*4-8H,9-12H2,1-3H3;4-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;6-9H2,1-5H3;5-8H2,1-4H3
InChIKeyICKPFRKWKLOFTB-UHFFFAOYSA-N
MW2348.63 g/mol
LogP21.13
Rot. Bonds9

About 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate

3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate (PubChem CID 158658227) has the molecular formula C137H243N27O5 and a molecular weight of 2348.63 g/mol. Its IUPAC name is 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate.

Molecular Properties

Compound Name3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
PubChem CID158658227
Molecular FormulaC137H243N27O5
Molecular Weight2348.63 g/mol
Exact Mass2346.96
IUPAC Name3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C14H22N2.C14H27N.2C13H21N3.2C12H20N4.C12H24N2O2.C12H23NO.C11H23N3O.C10H20N2O/c2*1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5;1-9(13)11-5-7-12(8-6-11)10(2,3)4/h2*4-8H,9-12H2,1-3H3;4-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;6-9H2,1-5H3;5-8H2,1-4H3
InChIKeyICKPFRKWKLOFTB-UHFFFAOYSA-N
XLogP21.13
TPSA215.05 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds9
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002348.63
LogP ≤ 521.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[3-[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-(dimethylamino)ethanone
CID 89953915
4-[[1-[[3-[[4-Amino-6-oxo-2-(oxolan-2-ylmethylamino)-5,7-dihydropteridin-8-yl]methyl]phenyl]methyl]pyrrolidin-2-yl]amino]-2-(butylamino)-8-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5,7-dihydropteridin-6-one
CID 134382238
(6aS)-6a-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one;(6aR)-6a-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
CID 157314695
8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;bis(1-tert-butyl-4-phenylpiperazine);2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
CID 157615900
(6aS)-6a-ethyl-5-methyl-2-(2-phenyl-3-pyridinyl)-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one;(6aR)-6a-ethyl-5-methyl-2-(2-phenyl-3-pyridinyl)-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
CID 159447989
3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
CID 159725703
(6aS)-6a-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one;(6aR)-6a-ethyl-5-methyl-2-(2-phenylimidazol-1-yl)-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
CID 160562345
4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;9-tert-butyl-3-oxa-9-azaspiro[5.5]undecane;1-tert-butyl-4-phenylpiperazine;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
CID 161134367
(6aS)-6a-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one;(6aR)-6a-ethyl-5-methyl-2-(3-phenyl-4-pyridinyl)-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one;methane
CID 161623349
benzene;4-[5-[2-[(5R)-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine;[5-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyrimidin-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;4-[5-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine;4-[5-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrimidin-5-yl]-7H-cyclopenta[b]pyridin-3-yl]morpholine
CID 164013068

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The IUPAC name of 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate (CID 158658227) is 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate.
What is the SMILES notation for 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The canonical SMILES for 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate is CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The InChIKey is ICKPFRKWKLOFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H22N2.C14H27N.2C13H21N3.2C12H20N4.C12H24N2O2.C12H23NO.C11H23N3O.C10H20N2O/c2*1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5;1-9(13)11-5-7-12(8-6-11)10(2,3)4/h2*4-8H,9-12H2,1-3H3;4-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;6-9H2,1-5H3;5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate has a molecular weight of 2348.63 g/mol, XLogP of 21.13, 9 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate is sourced from PubChem (CID 158658227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).