(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide

C27H29N3O2 — CID 92872816

IUPAC(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1cccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1
InChIInChI=1S/C27H29N3O2/c1-20-8-5-9-21(16-20)18-28-26(31)23-11-6-10-22(17-23)24-12-7-15-30(19-24)27(32)29-25-13-3-2-4-14-25/h2-6,8-11,13-14,16-17,24H,7,12,15,18-19H2,1H3,(H,28,31)(H,29,32)/t24-/m0/s1
InChIKeyXQQZXOUKZDTEMF-DEOSSOPVSA-N
MW427.55 g/mol
LogP5.34
Rot. Bonds5

About (3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide

(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 92872816) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is (3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
PubChem CID92872816
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1cccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1
InChIInChI=1S/C27H29N3O2/c1-20-8-5-9-21(16-20)18-28-26(31)23-11-6-10-22(17-23)24-12-7-15-30(19-24)27(32)29-25-13-3-2-4-14-25/h2-6,8-11,13-14,16-17,24H,7,12,15,18-19H2,1H3,(H,28,31)(H,29,32)/t24-/m0/s1
InChIKeyXQQZXOUKZDTEMF-DEOSSOPVSA-N
XLogP5.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334225
3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334219
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 46333935
(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872664
3-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334212
(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide (CID 92872816) is (3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide is Cc1cccc(CNC(=O)c2cccc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)c2)c1.
What is the InChIKey of (3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is XQQZXOUKZDTEMF-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20-8-5-9-21(16-20)18-28-26(31)23-11-6-10-22(17-23)24-12-7-15-30(19-24)27(32)29-25-13-3-2-4-14-25/h2-6,8-11,13-14,16-17,24H,7,12,15,18-19H2,1H3,(H,28,31)(H,29,32)/t24-/m0/s1.
What are the key properties of (3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 92872816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).