3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide

C22H26ClN3O2 — CID 50789013

IUPAC3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(c2cccc(C(=O)Nc3ccccc3Cl)c2)C1
InChIInChI=1S/C22H26ClN3O2/c1-15(2)24-22(28)26-12-6-9-18(14-26)16-7-5-8-17(13-16)21(27)25-20-11-4-3-10-19(20)23/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyOVUDOYYLJHUCKD-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.89
Rot. Bonds4

About 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide

3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 50789013) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID50789013
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(c2cccc(C(=O)Nc3ccccc3Cl)c2)C1
InChIInChI=1S/C22H26ClN3O2/c1-15(2)24-22(28)26-12-6-9-18(14-26)16-7-5-8-17(13-16)21(27)25-20-11-4-3-10-19(20)23/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyOVUDOYYLJHUCKD-UHFFFAOYSA-N
XLogP4.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891221
3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789048
3-[3-(azepane-1-carbonyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334254
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891172
(3R)-3-[3-[(2-fluorophenyl)carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891396
3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334247
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050
(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891212
(3R)-N-(4-chlorophenyl)-3-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92872614
(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891393
(3R)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891138
(3S)-3-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872947

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide (CID 50789013) is 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(c2cccc(C(=O)Nc3ccccc3Cl)c2)C1.
What is the InChIKey of 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is OVUDOYYLJHUCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15(2)24-22(28)26-12-6-9-18(14-26)16-7-5-8-17(13-16)21(27)25-20-11-4-3-10-19(20)23/h3-5,7-8,10-11,13,15,18H,6,9,12,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide?
3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-chlorophenyl)carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 50789013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).