(3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-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

C96H89ClF12N10O13 — CID 159330928

IUPAC(3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-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
SMILESCOc1cccc(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=C1NCCC(c2cccc(C(F)F)c2)C1C(=O)Nc1ccc(F)c(F)c1F.O=C1NCC[C@H](c2cccc(Cl)c2)[C@H]1C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C20H19F3N2O3.C20H21FN2O3.C19H15F5N2O2.C19H19FN2O3.C18H15ClF2N2O2/c1-28-13-6-4-5-12(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;20-12-4-5-13(16(22)15(12)21)26-19(28)14-11(6-7-25-18(14)27)9-2-1-3-10(8-9)17(23)24;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/h2-8,11,14,17H,9-10H2,1H3,(H,24,26)(H,25,27);3-9,12,15,18H,10-11H2,1-2H3,(H,22,24);1-5,8,11,14,17H,6-7H2,(H,25,27)(H,26,28);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
InChIKeyLEYSDRRKKXUWJS-AOWKJOJBSA-N
MW1854.25 g/mol
LogP16.68
Rot. Bonds19

About (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-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]-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 159330928) has the molecular formula C96H89ClF12N10O13 and a molecular weight of 1854.25 g/mol. Its IUPAC name is (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-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]-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 CID159330928
Molecular FormulaC96H89ClF12N10O13
Molecular Weight1854.25 g/mol
Exact Mass1852.61
IUPAC Name(3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-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
SMILESCOc1cccc(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=C1NCCC(c2cccc(C(F)F)c2)C1C(=O)Nc1ccc(F)c(F)c1F.O=C1NCC[C@H](c2cccc(Cl)c2)[C@H]1C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C20H19F3N2O3.C20H21FN2O3.C19H15F5N2O2.C19H19FN2O3.C18H15ClF2N2O2/c1-28-13-6-4-5-12(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;20-12-4-5-13(16(22)15(12)21)26-19(28)14-11(6-7-25-18(14)27)9-2-1-3-10(8-9)17(23)24;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/h2-8,11,14,17H,9-10H2,1H3,(H,24,26)(H,25,27);3-9,12,15,18H,10-11H2,1-2H3,(H,22,24);1-5,8,11,14,17H,6-7H2,(H,25,27)(H,26,28);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
InChIKeyLEYSDRRKKXUWJS-AOWKJOJBSA-N
XLogP16.68
TPSA309.90 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001854.25
LogP ≤ 516.68
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-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 with MolForge

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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]-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]-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 159330928) is (3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-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]-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]-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 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=C1NCCC(c2cccc(C(F)F)c2)C1C(=O)Nc1ccc(F)c(F)c1F.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]-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 LEYSDRRKKXUWJS-AOWKJOJBSA-N. The full InChI is InChI=1S/C20H19F3N2O3.C20H21FN2O3.C19H15F5N2O2.C19H19FN2O3.C18H15ClF2N2O2/c1-28-13-6-4-5-12(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;20-12-4-5-13(16(22)15(12)21)26-19(28)14-11(6-7-25-18(14)27)9-2-1-3-10(8-9)17(23)24;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/h2-8,11,14,17H,9-10H2,1H3,(H,24,26)(H,25,27);3-9,12,15,18H,10-11H2,1-2H3,(H,22,24);1-5,8,11,14,17H,6-7H2,(H,25,27)(H,26,28);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]-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]-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 1854.25 g/mol, XLogP of 16.68, 19 rotatable bonds, 9 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]-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 159330928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).