(3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide

C27H28ClN3O2 — CID 92872614

IUPAC(3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)c1C
InChIInChI=1S/C27H28ClN3O2/c1-18-6-3-10-25(19(18)2)30-26(32)21-8-4-7-20(16-21)22-9-5-15-31(17-22)27(33)29-24-13-11-23(28)12-14-24/h3-4,6-8,10-14,16,22H,5,9,15,17H2,1-2H3,(H,29,33)(H,30,32)/t22-/m0/s1
InChIKeyGGRQJINILLWELX-QFIPXVFZSA-N
MW461.99 g/mol
LogP6.62
Rot. Bonds4

About (3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide

(3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 92872614) has the molecular formula C27H28ClN3O2 and a molecular weight of 461.99 g/mol. Its IUPAC name is (3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID92872614
Molecular FormulaC27H28ClN3O2
Molecular Weight461.99 g/mol
Exact Mass461.19
IUPAC Name(3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)c1C
InChIInChI=1S/C27H28ClN3O2/c1-18-6-3-10-25(19(18)2)30-26(32)21-8-4-7-20(16-21)22-9-5-15-31(17-22)27(33)29-24-13-11-23(28)12-14-24/h3-4,6-8,10-14,16,22H,5,9,15,17H2,1-2H3,(H,29,33)(H,30,32)/t22-/m0/s1
InChIKeyGGRQJINILLWELX-QFIPXVFZSA-N
XLogP6.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.99
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 92872490
(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872616
N-(4-chlorophenyl)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334138
(3S)-N-(4-chlorophenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872691
(3R)-N-(4-chlorophenyl)-3-[3-[3-(diethylamino)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872610
(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872664
(3S)-N-(4-chlorophenyl)-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872675
3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334225
3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789013
(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 92872501
(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891396
(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891393

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide (CID 92872614) is (3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide is Cc1cccc(NC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)c1C.
What is the InChIKey of (3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is GGRQJINILLWELX-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H28ClN3O2/c1-18-6-3-10-25(19(18)2)30-26(32)21-8-4-7-20(16-21)22-9-5-15-31(17-22)27(33)29-24-13-11-23(28)12-14-24/h3-4,6-8,10-14,16,22H,5,9,15,17H2,1-2H3,(H,29,33)(H,30,32)/t22-/m0/s1.
What are the key properties of (3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide?
(3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 461.99 g/mol, XLogP of 6.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92872614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).