1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C18H21ClN4O2 — CID 24791695

IUPAC1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)[nH]1
InChIInChI=1S/C18H21ClN4O2/c1-12-8-20-16(22-12)9-21-18(25)14-4-7-17(24)23(11-14)10-13-2-5-15(19)6-3-13/h2-3,5-6,8,14H,4,7,9-11H2,1H3,(H,20,22)(H,21,25)
InChIKeyCXCJFPZKTGOFCW-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.43
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791695) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791695
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)[nH]1
InChIInChI=1S/C18H21ClN4O2/c1-12-8-20-16(22-12)9-21-18(25)14-4-7-17(24)23(11-14)10-13-2-5-15(19)6-3-13/h2-3,5-6,8,14H,4,7,9-11H2,1H3,(H,20,22)(H,21,25)
InChIKeyCXCJFPZKTGOFCW-UHFFFAOYSA-N
XLogP2.43
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-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 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791695) is 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cnc(CNC(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)[nH]1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is CXCJFPZKTGOFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-12-8-20-16(22-12)9-21-18(25)14-4-7-17(24)23(11-14)10-13-2-5-15(19)6-3-13/h2-3,5-6,8,14H,4,7,9-11H2,1H3,(H,20,22)(H,21,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).