3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide

C27H29N3O2 — CID 46334225

IUPAC3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1ccccc1CNC(=O)c1cccc(C2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C27H29N3O2/c1-20-9-5-6-10-23(20)18-28-26(31)22-12-7-11-21(17-22)24-13-8-16-30(19-24)27(32)29-25-14-3-2-4-15-25/h2-7,9-12,14-15,17,24H,8,13,16,18-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyYPCLXNWOWHEKDF-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.34
Rot. Bonds5

About 3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide

3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 46334225) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
PubChem CID46334225
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1ccccc1CNC(=O)c1cccc(C2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C27H29N3O2/c1-20-9-5-6-10-23(20)18-28-26(31)22-12-7-11-21(17-22)24-13-8-16-30(19-24)27(32)29-25-14-3-2-4-15-25/h2-7,9-12,14-15,17,24H,8,13,16,18-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyYPCLXNWOWHEKDF-UHFFFAOYSA-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

(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813
3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334219
(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
(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872750
3-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334212
N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023
(3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872832
3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872473
3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334247

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide (CID 46334225) is 3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide is Cc1ccccc1CNC(=O)c1cccc(C2CCCN(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of 3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is YPCLXNWOWHEKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20-9-5-6-10-23(20)18-28-26(31)22-12-7-11-21(17-22)24-13-8-16-30(19-24)27(32)29-25-14-3-2-4-15-25/h2-7,9-12,14-15,17,24H,8,13,16,18-19H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide?
3-[3-[(2-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 3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46334225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).