1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide

C28H30ClN3O2 — CID 43923681

IUPAC1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccccc2Cl)C1)c1ccccc1
InChIInChI=1S/C28H30ClN3O2/c1-20(21-10-3-2-4-11-21)30-28(34)24-14-6-8-16-26(24)31-27(33)23-13-9-17-32(19-23)18-22-12-5-7-15-25(22)29/h2-8,10-12,14-16,20,23H,9,13,17-19H2,1H3,(H,30,34)(H,31,33)
InChIKeyRZIIECDSQLBOGB-UHFFFAOYSA-N
MW476.02 g/mol
LogP5.68
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 43923681) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID43923681
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(NC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccccc2Cl)C1)c1ccccc1
InChIInChI=1S/C28H30ClN3O2/c1-20(21-10-3-2-4-11-21)30-28(34)24-14-6-8-16-26(24)31-27(33)23-13-9-17-32(19-23)18-22-12-5-7-15-25(22)29/h2-8,10-12,14-16,20,23H,9,13,17-19H2,1H3,(H,30,34)(H,31,33)
InChIKeyRZIIECDSQLBOGB-UHFFFAOYSA-N
XLogP5.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141
(3S)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491921
(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491922
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
1-ethylsulfonyl-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132672917
ethyl 2-[[(3R)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490772
2-(cyclopentanecarbonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2578672
N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935041
1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167756
1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 46776562
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 43920320
(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
CID 9304747

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 43923681) is 1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide is CC(NC(=O)c1ccccc1NC(=O)C1CCCN(Cc2ccccc2Cl)C1)c1ccccc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is RZIIECDSQLBOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-20(21-10-3-2-4-11-21)30-28(34)24-14-6-8-16-26(24)31-27(33)23-13-9-17-32(19-23)18-22-12-5-7-15-25(22)29/h2-8,10-12,14-16,20,23H,9,13,17-19H2,1H3,(H,30,34)(H,31,33).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 476.02 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 43923681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).