(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide

C23H29ClN4O2 — CID 92872616

IUPAC(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCN(C)CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C23H29ClN4O2/c1-27(2)14-12-25-22(29)18-6-3-5-17(15-18)19-7-4-13-28(16-19)23(30)26-21-10-8-20(24)9-11-21/h3,5-6,8-11,15,19H,4,7,12-14,16H2,1-2H3,(H,25,29)(H,26,30)/t19-/m0/s1
InChIKeyRCOQFIAFBRIYJC-IBGZPJMESA-N
MW428.96 g/mol
LogP4.04
Rot. Bonds6

About (3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide

(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 92872616) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is (3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID92872616
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCN(C)CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C23H29ClN4O2/c1-27(2)14-12-25-22(29)18-6-3-5-17(15-18)19-7-4-13-28(16-19)23(30)26-21-10-8-20(24)9-11-21/h3,5-6,8-11,15,19H,4,7,12-14,16H2,1-2H3,(H,25,29)(H,26,30)/t19-/m0/s1
InChIKeyRCOQFIAFBRIYJC-IBGZPJMESA-N
XLogP4.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-chlorophenyl)-3-[3-[3-(diethylamino)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872610
(3S)-N-(4-chlorophenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872691
(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 92872490
(3S)-N-(4-chlorophenyl)-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872675
(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 92872741
N-(4-chlorophenyl)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334138
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872664
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813
(3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92872614
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
3-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334212

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide (CID 92872616) is (3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide is CN(C)CCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of (3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is RCOQFIAFBRIYJC-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29ClN4O2/c1-27(2)14-12-25-22(29)18-6-3-5-17(15-18)19-7-4-13-28(16-19)23(30)26-21-10-8-20(24)9-11-21/h3,5-6,8-11,15,19H,4,7,12-14,16H2,1-2H3,(H,25,29)(H,26,30)/t19-/m0/s1.
What are the key properties of (3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide?
(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 428.96 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92872616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).