2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

C130H255F2N21O11 — CID 159844603

IUPAC2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)C1CCN(C(=O)CC(C)(C)C)CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)N1CCN(C(=O)C(C)(F)F)CC1.CC(C)N1CCN(C(=O)CC(C)(C)C)C2(CC2)C1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CCC(=O)N1CCN(C(C)C)CC1.CCCC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H28N2O.C14H27NO.2C13H26N2O.2C12H24N2O.2C11H22N2O.C10H18F2N2O.C10H20N2O.C9H18N2O/c1-12(2)16-8-9-17(15(11-16)6-7-15)13(18)10-14(3,4)5;1-11(2)12-6-8-15(9-7-12)13(16)10-14(3,4)5;2*1-11(2)14-6-8-15(9-7-14)12(16)10-13(3,4)5;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-4-5-11(14)13-8-6-12(7-9-13)10(2)3;1-8(2)13-4-6-14(7-5-13)9(15)10(3,11)12;1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12/h12H,6-11H2,1-5H3;11-12H,6-10H2,1-5H3;2*11H,6-10H2,1-5H3;10H,6-9H2,1-5H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyNPDCUYNQKAVWRM-UHFFFAOYSA-N
MW2326.60 g/mol
LogP18.18
Rot. Bonds22

About 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one

2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 159844603) has the molecular formula C130H255F2N21O11 and a molecular weight of 2326.60 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
PubChem CID159844603
Molecular FormulaC130H255F2N21O11
Molecular Weight2326.60 g/mol
Exact Mass2325.00
IUPAC Name2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)C1CCN(C(=O)CC(C)(C)C)CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)N1CCN(C(=O)C(C)(F)F)CC1.CC(C)N1CCN(C(=O)CC(C)(C)C)C2(CC2)C1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CCC(=O)N1CCN(C(C)C)CC1.CCCC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C15H28N2O.C14H27NO.2C13H26N2O.2C12H24N2O.2C11H22N2O.C10H18F2N2O.C10H20N2O.C9H18N2O/c1-12(2)16-8-9-17(15(11-16)6-7-15)13(18)10-14(3,4)5;1-11(2)12-6-8-15(9-7-12)13(16)10-14(3,4)5;2*1-11(2)14-6-8-15(9-7-14)12(16)10-13(3,4)5;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-4-5-11(14)13-8-6-12(7-9-13)10(2)3;1-8(2)13-4-6-14(7-5-13)9(15)10(3,11)12;1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12/h12H,6-11H2,1-5H3;11-12H,6-10H2,1-5H3;2*11H,6-10H2,1-5H3;10H,6-9H2,1-5H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyNPDCUYNQKAVWRM-UHFFFAOYSA-N
XLogP18.18
TPSA255.81 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002326.60
LogP ≤ 518.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-N-(1-methylpiperidin-4-yl)acetamide;N-(2,2-difluoroethyl)-N-(1-methylpiperidin-4-yl)acetamide;N-(2-fluoroethyl)-N-(1-methylpiperidin-4-yl)acetamide;N-(2-fluoro-2-methylpropyl)-N-(1-methylpiperidin-4-yl)acetamide;N-[(1-methylcyclobutyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide;N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)acetamide;N-(1-methylpiperidin-4-yl)-N-propylacetamide;N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 158213503
1-(4-Tert-butylpiperazin-1-yl)-2-methylpropan-1-one;2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 159454571
4,4-Difluoro-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3,3-difluoro-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;2,2,3,3,3-pentafluoro-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-2,2-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)propan-1-one;4,4,4-trifluoro-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;2,2,2-trifluoro-1-(4-propan-2-ylpiperidin-1-yl)ethanone;3,3,3-trifluoro-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(4-propan-2-ylpiperidin-1-yl)-2-(trifluoromethyl)propan-1-one
CID 160075892
1-(4-Tert-butylpiperazin-1-yl)-2-methylpropan-1-one;2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;tris(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 161321067
1-(4-Tert-butylpiperazin-1-yl)-2-methylpropan-1-one;2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 165006114
4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)-2-cyclopropylethanone;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 158927431
4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)-2-cyclopropylethanone;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 160072025
3,3-Dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 160076208
1-(4-Tert-butylpiperazin-1-yl)-2-methylpropan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 160148498

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one (CID 159844603) is 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is CC(=O)N1CCN(C(C)C)CC1.CC(C)C(=O)N1CCN(C(C)C)CC1.CC(C)C1CCN(C(=O)CC(C)(C)C)CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)N1CCN(C(=O)C(C)(F)F)CC1.CC(C)N1CCN(C(=O)CC(C)(C)C)C2(CC2)C1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CCC(=O)N1CCN(C(C)C)CC1.CCCC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is NPDCUYNQKAVWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.C14H27NO.2C13H26N2O.2C12H24N2O.2C11H22N2O.C10H18F2N2O.C10H20N2O.C9H18N2O/c1-12(2)16-8-9-17(15(11-16)6-7-15)13(18)10-14(3,4)5;1-11(2)12-6-8-15(9-7-12)13(16)10-14(3,4)5;2*1-11(2)14-6-8-15(9-7-14)12(16)10-13(3,4)5;1-10(2)13-6-8-14(9-7-13)11(15)12(3,4)5;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-9(2)11(14)13-7-5-12(6-8-13)10(3)4;1-4-5-11(14)13-8-6-12(7-9-13)10(2)3;1-8(2)13-4-6-14(7-5-13)9(15)10(3,11)12;1-4-10(13)12-7-5-11(6-8-12)9(2)3;1-8(2)10-4-6-11(7-5-10)9(3)12/h12H,6-11H2,1-5H3;11-12H,6-10H2,1-5H3;2*11H,6-10H2,1-5H3;10H,6-9H2,1-5H3;10-11H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;10H,4-9H2,1-3H3;8H,4-7H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one?
2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 2326.60 g/mol, XLogP of 18.18, 22 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(7-propan-2-yl-4,7-diazaspiro[2.5]octan-4-yl)butan-1-one;bis(3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one);2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 159844603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).