4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide

C21H21ClN4O2 — CID 44577692

IUPAC4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2ncc[nH]2)c1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C21H21ClN4O2/c22-18-6-1-2-7-19(18)28-17-8-12-26(13-9-17)21(27)25-16-5-3-4-15(14-16)20-23-10-11-24-20/h1-7,10-11,14,17H,8-9,12-13H2,(H,23,24)(H,25,27)
InChIKeyAJZQBSNOVVDJSX-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.81
Rot. Bonds4

About 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide

4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide (PubChem CID 44577692) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide
PubChem CID44577692
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(-c2ncc[nH]2)c1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C21H21ClN4O2/c22-18-6-1-2-7-19(18)28-17-8-12-26(13-9-17)21(27)25-16-5-3-4-15(14-16)20-23-10-11-24-20/h1-7,10-11,14,17H,8-9,12-13H2,(H,23,24)(H,25,27)
InChIKeyAJZQBSNOVVDJSX-UHFFFAOYSA-N
XLogP4.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide (CID 44577692) is 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(-c2ncc[nH]2)c1)N1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is AJZQBSNOVVDJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c22-18-6-1-2-7-19(18)28-17-8-12-26(13-9-17)21(27)25-16-5-3-4-15(14-16)20-23-10-11-24-20/h1-7,10-11,14,17H,8-9,12-13H2,(H,23,24)(H,25,27).
What are the key properties of 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide?
4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[3-(1H-imidazol-2-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 44577692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).