(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide

C27H29N3O3 — CID 92872821

IUPAC(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1
InChIInChI=1S/C27H29N3O3/c1-33-25-14-5-8-20(16-25)18-28-26(31)22-10-6-9-21(17-22)23-11-7-15-30(19-23)27(32)29-24-12-3-2-4-13-24/h2-6,8-10,12-14,16-17,23H,7,11,15,18-19H2,1H3,(H,28,31)(H,29,32)/t23-/m1/s1
InChIKeyAIUHNXXYHSYOPM-HSZRJFAPSA-N
MW443.55 g/mol
LogP5.04
Rot. Bonds6

About (3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide

(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 92872821) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is (3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
PubChem CID92872821
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1
InChIInChI=1S/C27H29N3O3/c1-33-25-14-5-8-20(16-25)18-28-26(31)22-10-6-9-21(17-22)23-11-7-15-30(19-23)27(32)29-24-12-3-2-4-13-24/h2-6,8-10,12-14,16-17,23H,7,11,15,18-19H2,1H3,(H,28,31)(H,29,32)/t23-/m1/s1
InChIKeyAIUHNXXYHSYOPM-HSZRJFAPSA-N
XLogP5.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872664
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 92872490
3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334219
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334225
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813
(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872750
N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 46334029

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide (CID 92872821) is (3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide is COc1cccc(CNC(=O)c2cccc([C@@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1.
What is the InChIKey of (3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is AIUHNXXYHSYOPM-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-33-25-14-5-8-20(16-25)18-28-26(31)22-10-6-9-21(17-22)23-11-7-15-30(19-23)27(32)29-24-12-3-2-4-13-24/h2-6,8-10,12-14,16-17,23H,7,11,15,18-19H2,1H3,(H,28,31)(H,29,32)/t23-/m1/s1.
What are the key properties of (3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 92872821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).