(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

C27H28ClN3O3 — CID 92872664

IUPAC(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)c1
InChIInChI=1S/C27H28ClN3O3/c1-34-25-9-2-5-19(15-25)17-29-26(32)21-7-3-6-20(16-21)22-8-4-14-31(18-22)27(33)30-24-12-10-23(28)11-13-24/h2-3,5-7,9-13,15-16,22H,4,8,14,17-18H2,1H3,(H,29,32)(H,30,33)/t22-/m0/s1
InChIKeyDFNAQGREWFVOTC-QFIPXVFZSA-N
MW477.99 g/mol
LogP5.69
Rot. Bonds6

About (3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide

(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 92872664) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is (3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID92872664
Molecular FormulaC27H28ClN3O3
Molecular Weight477.99 g/mol
Exact Mass477.18
IUPAC Name(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)c1
InChIInChI=1S/C27H28ClN3O3/c1-34-25-9-2-5-19(15-25)17-29-26(32)21-7-3-6-20(16-21)22-8-4-14-31(18-22)27(33)30-24-12-10-23(28)11-13-24/h2-3,5-7,9-13,15-16,22H,4,8,14,17-18H2,1H3,(H,29,32)(H,30,33)/t22-/m0/s1
InChIKeyDFNAQGREWFVOTC-QFIPXVFZSA-N
XLogP5.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.99
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872821
(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 92872490
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
N-(4-chlorophenyl)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334138
N-[(3-chlorophenyl)methyl]-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333937
N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 92872314
(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872616
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593
(3S)-N-(4-chlorophenyl)-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872675
N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 46334029
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide (CID 92872664) is (3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide is COc1cccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccc(Cl)cc4)C3)c2)c1.
What is the InChIKey of (3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is DFNAQGREWFVOTC-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c1-34-25-9-2-5-19(15-25)17-29-26(32)21-7-3-6-20(16-21)22-8-4-14-31(18-22)27(33)30-24-12-10-23(28)11-13-24/h2-3,5-7,9-13,15-16,22H,4,8,14,17-18H2,1H3,(H,29,32)(H,30,33)/t22-/m0/s1.
What are the key properties of (3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide?
(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 477.99 g/mol, XLogP of 5.69, 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-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92872664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).