(3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C97H91ClF12N10O13 — CID 163428787

About (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 163428787) has the molecular formula C97H91ClF12N10O13 and a molecular weight of 1868.28 g/mol. Its IUPAC name is (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
• PubChem CID: 163428787
• Molecular Formula: C97H91ClF12N10O13
• Molecular Weight: 1868.28 g/mol
• Exact Mass: 1866.63
• IUPAC Name: (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
• SMILES: CN1CCC(c2cccc(C(F)F)c2)C(C(=O)Nc2ccc(F)c(F)c2F)C1=O.COc1cccc(C2CCN(C)C(=O)C2C(=O)Nc2ccccc2F)c1.COc1cccc(C2CCNC(=O)C2C(=O)Nc2ccccc2C(F)(F)F)c1.COc1cccc(C2CCNC(=O)C2C(=O)Nc2ccccc2F)c1.O=C1NCC[C@H](c2cccc(Cl)c2)[C@H]1C(=O)Nc1cccc(F)c1F
• InChI: InChI=1S/C20H17F5N2O2.C20H19F3N2O3.C20H21FN2O3.C19H19FN2O3.C18H15ClF2N2O2/c1-27-8-7-12(10-3-2-4-11(9-10)18(24)25)15(20(27)29)19(28)26-14-6-5-13(21)16(22)17(14)23;1-28-13-6-4-5-12(11-13)14-9-10-24-18(26)17(14)19(27)25-16-8-3-2-7-15(16)20(21,22)23;1-23-11-10-15(13-6-5-7-14(12-13)26-2)18(20(23)25)19(24)22-17-9-4-3-8-16(17)21;1-25-13-6-4-5-12(11-13)14-9-10-21-18(23)17(14)19(24)22-16-8-3-2-7-15(16)20;19-11-4-1-3-10(9-11)12-7-8-22-17(24)15(12)18(25)23-14-6-2-5-13(20)16(14)21/h2-6,9,12,15,18H,7-8H2,1H3,(H,26,28);2-8,11,14,17H,9-10H2,1H3,(H,24,26)(H,25,27);3-9,12,15,18H,10-11H2,1-2H3,(H,22,24);2-8,11,14,17H,9-10H2,1H3,(H,21,23)(H,22,24);1-6,9,12,15H,7-8H2,(H,22,24)(H,23,25)/t;;;;12-,15-/m....1/s1
• InChIKey: AOSRZSOSGGTJNL-AOWKJOJBSA-N
• XLogP: 17.02
• TPSA: 301.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1868.28
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

The IUPAC name of (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 163428787) is (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

The canonical SMILES for (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CN1CCC(c2cccc(C(F)F)c2)C(C(=O)Nc2ccc(F)c(F)c2F)C1=O.COc1cccc(C2CCN(C)C(=O)C2C(=O)Nc2ccccc2F)c1.COc1cccc(C2CCNC(=O)C2C(=O)Nc2ccccc2C(F)(F)F)c1.COc1cccc(C2CCNC(=O)C2C(=O)Nc2ccccc2F)c1.O=C1NCC[C@H](c2cccc(Cl)c2)[C@H]1C(=O)Nc1cccc(F)c1F.

What is the InChIKey of (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

The InChIKey is AOSRZSOSGGTJNL-AOWKJOJBSA-N. The full InChI is InChI=1S/C20H17F5N2O2.C20H19F3N2O3.C20H21FN2O3.C19H19FN2O3.C18H15ClF2N2O2/c1-27-8-7-12(10-3-2-4-11(9-10)18(24)25)15(20(27)29)19(28)26-14-6-5-13(21)16(22)17(14)23;1-28-13-6-4-5-12(11-13)14-9-10-24-18(26)17(14)19(27)25-16-8-3-2-7-15(16)20(21,22)23;1-23-11-10-15(13-6-5-7-14(12-13)26-2)18(20(23)25)19(24)22-17-9-4-3-8-16(17)21;1-25-13-6-4-5-12(11-13)14-9-10-21-18(23)17(14)19(24)22-16-8-3-2-7-15(16)20;19-11-4-1-3-10(9-11)12-7-8-22-17(24)15(12)18(25)23-14-6-2-5-13(20)16(14)21/h2-6,9,12,15,18H,7-8H2,1H3,(H,26,28);2-8,11,14,17H,9-10H2,1H3,(H,24,26)(H,25,27);3-9,12,15,18H,10-11H2,1-2H3,(H,22,24);2-8,11,14,17H,9-10H2,1H3,(H,21,23)(H,22,24);1-6,9,12,15H,7-8H2,(H,22,24)(H,23,25)/t;;;;12-,15-/m....1/s1.

What are the key properties of (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?

(3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 1868.28 g/mol, XLogP of 17.02, 19 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 163428787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).