3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C81H99Cl2F4N11O10S2 — CID 161234712

IUPAC3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)CC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1.CC1(F)CCC(CC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.CN1CCC[C@@H](CC(=O)CC2CCN(c3ncc(C#N)cc3NC(=O)c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C28H35ClFN3O4S.C28H32F3N5O2.C25H32ClN3O4S/c1-28(30)10-6-19(7-11-28)14-23(34)15-20-8-12-33(13-9-20)26-25(17-24(18-31-26)38(2,36)37)32-27(35)21-4-3-5-22(29)16-21;1-35-9-3-4-20(18-35)13-24(37)12-19-7-10-36(11-8-19)26-25(14-21(16-32)17-33-26)34-27(38)22-5-2-6-23(15-22)28(29,30)31;1-25(2,3)15-20(30)12-17-8-10-29(11-9-17)23-22(14-21(16-27-23)34(4,32)33)28-24(31)18-6-5-7-19(26)13-18/h3-5,16-20H,6-15H2,1-2H3,(H,32,35);2,5-6,14-15,17,19-20H,3-4,7-13,18H2,1H3,(H,34,38);5-7,13-14,16-17H,8-12,15H2,1-4H3,(H,28,31)/t;20-;/m.0./s1
InChIKeyUZFJUDQGZODVRZ-FHIAPGCQSA-N
MW1597.78 g/mol
LogP16.01
Rot. Bonds22

About 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 161234712) has the molecular formula C81H99Cl2F4N11O10S2 and a molecular weight of 1597.78 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID161234712
Molecular FormulaC81H99Cl2F4N11O10S2
Molecular Weight1597.78 g/mol
Exact Mass1595.63
IUPAC Name3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)CC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1.CC1(F)CCC(CC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.CN1CCC[C@@H](CC(=O)CC2CCN(c3ncc(C#N)cc3NC(=O)c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C28H35ClFN3O4S.C28H32F3N5O2.C25H32ClN3O4S/c1-28(30)10-6-19(7-11-28)14-23(34)15-20-8-12-33(13-9-20)26-25(17-24(18-31-26)38(2,36)37)32-27(35)21-4-3-5-22(29)16-21;1-35-9-3-4-20(18-35)13-24(37)12-19-7-10-36(11-8-19)26-25(14-21(16-32)17-33-26)34-27(38)22-5-2-6-23(15-22)28(29,30)31;1-25(2,3)15-20(30)12-17-8-10-29(11-9-17)23-22(14-21(16-27-23)34(4,32)33)28-24(31)18-6-5-7-19(26)13-18/h3-5,16-20H,6-15H2,1-2H3,(H,32,35);2,5-6,14-15,17,19-20H,3-4,7-13,18H2,1H3,(H,34,38);5-7,13-14,16-17H,8-12,15H2,1-4H3,(H,28,31)/t;20-;/m.0./s1
InChIKeyUZFJUDQGZODVRZ-FHIAPGCQSA-N
XLogP16.01
TPSA282.21 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds22
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001597.78
LogP ≤ 516.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

3-[(3-chlorobenzoyl)-[2-[4-[2-(4-cyanoanilino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]amino]-2-[2-[3-chloro-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]-3-pyridinyl]-5-methylsulfonylbenzamide;3-chloro-N-[5-methylsulfonyl-2-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-1-yl]-3-pyridinyl]benzamide
CID 87376549
3-chloro-N-[2-[4-[2-[4-(1,1-difluoroethyl)piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 117860337
3-chloro-N-[2-[4-[3-(4,4-difluorocyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 159301733
N-[4-(5-acetyl-3-pyridinyl)-2-pyridinyl]acetamide;N-[4-[6-amino-5-[(2-fluorophenyl)methylsulfonyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide;methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate;N-[4-[6-methyl-5-(2-oxopropyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 159572626
N-[2-[4-[3-[(3R)-1-acetylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[5-chloro-2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-cyano-2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-3-pyridinyl]benzamide;N-[2-[4-[3-[(3R)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 161311052
3-chloro-N-[5-chloro-2-[4-(4-methyl-2-oxo-4-phenylpentyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[5-chloro-2-[4-(2-oxo-3-phenylpropyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[2-[4-[3-(1-methylpiperidin-3-yl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 161821001
3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 161234713
N-[2-[4-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]-3-chlorobenzamide
CID 67341453
3-chloro-N-[2-[4-[2-(4-cyanoanilino)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 67344109
3-chloro-N-[2-[4-[2-[[(1S)-1-cyclohexylethyl]amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 87362839
3-chloro-N-[2-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide
CID 87377688
3-chloro-N-[5-methylsulfonyl-2-[4-(2-oxo-6-phenyloctyl)piperidin-1-yl]-3-pyridinyl]benzamide
CID 123789051

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 161234712) is 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is CC(C)(C)CC(=O)CC1CCN(c2ncc(S(C)(=O)=O)cc2NC(=O)c2cccc(Cl)c2)CC1.CC1(F)CCC(CC(=O)CC2CCN(c3ncc(S(C)(=O)=O)cc3NC(=O)c3cccc(Cl)c3)CC2)CC1.CN1CCC[C@@H](CC(=O)CC2CCN(c3ncc(C#N)cc3NC(=O)c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UZFJUDQGZODVRZ-FHIAPGCQSA-N. The full InChI is InChI=1S/C28H35ClFN3O4S.C28H32F3N5O2.C25H32ClN3O4S/c1-28(30)10-6-19(7-11-28)14-23(34)15-20-8-12-33(13-9-20)26-25(17-24(18-31-26)38(2,36)37)32-27(35)21-4-3-5-22(29)16-21;1-35-9-3-4-20(18-35)13-24(37)12-19-7-10-36(11-8-19)26-25(14-21(16-32)17-33-26)34-27(38)22-5-2-6-23(15-22)28(29,30)31;1-25(2,3)15-20(30)12-17-8-10-29(11-9-17)23-22(14-21(16-27-23)34(4,32)33)28-24(31)18-6-5-7-19(26)13-18/h3-5,16-20H,6-15H2,1-2H3,(H,32,35);2,5-6,14-15,17,19-20H,3-4,7-13,18H2,1H3,(H,34,38);5-7,13-14,16-17H,8-12,15H2,1-4H3,(H,28,31)/t;20-;/m.0./s1.
What are the key properties of 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1597.78 g/mol, XLogP of 16.01, 22 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(4,4-dimethyl-2-oxopentyl)piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;3-chloro-N-[2-[4-[3-(4-fluoro-4-methylcyclohexyl)-2-oxopropyl]piperidin-1-yl]-5-methylsulfonyl-3-pyridinyl]benzamide;N-[5-cyano-2-[4-[3-[(3S)-1-methylpiperidin-3-yl]-2-oxopropyl]piperidin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 161234712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).