N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C29H31N3O3 — CID 55607859

IUPACN-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C29H31N3O3/c1-21-13-15-23(16-14-21)19-30-29(35)25-11-5-6-12-26(25)31-28(34)24-10-7-17-32(20-24)27(33)18-22-8-3-2-4-9-22/h2-6,8-9,11-16,24H,7,10,17-20H2,1H3,(H,30,35)(H,31,34)
InChIKeyZTBWUZFZYCGSOV-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.34
Rot. Bonds7

About N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55607859) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55607859
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1
InChIInChI=1S/C29H31N3O3/c1-21-13-15-23(16-14-21)19-30-29(35)25-11-5-6-12-26(25)31-28(34)24-10-7-17-32(20-24)27(33)18-22-8-3-2-4-9-22/h2-6,8-9,11-16,24H,7,10,17-20H2,1H3,(H,30,35)(H,31,34)
InChIKeyZTBWUZFZYCGSOV-UHFFFAOYSA-N
XLogP4.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679402
N-[2-(benzylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 133189444
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
N-[2-(benzylcarbamoyl)phenyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43923445
1-[3-(4-methylbenzoyl)piperidin-1-yl]-2-phenylethanone
CID 110394612
1-[2-(4-fluorophenyl)acetyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55738740
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
1-[(4-methylphenyl)methyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43923600
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55607859) is N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is ZTBWUZFZYCGSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-21-13-15-23(16-14-21)19-30-29(35)25-11-5-6-12-26(25)31-28(34)24-10-7-17-32(20-24)27(33)18-22-8-3-2-4-9-22/h2-6,8-9,11-16,24H,7,10,17-20H2,1H3,(H,30,35)(H,31,34).
What are the key properties of N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55607859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).