2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide

C18H21ClN4O4 — CID 155957395

IUPAC2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3cnc(Cl)[nH]3)CC2)cc1OC
InChIInChI=1S/C18H21ClN4O4/c1-26-14-4-3-11(9-15(14)27-2)17(25)23-7-5-12(6-8-23)21-16(24)13-10-20-18(19)22-13/h3-4,9-10,12H,5-8H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyRDLYCLFMWGHNRY-UHFFFAOYSA-N
MW392.84 g/mol
LogP2.11
Rot. Bonds5

About 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide

2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 155957395) has the molecular formula C18H21ClN4O4 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
PubChem CID155957395
Molecular FormulaC18H21ClN4O4
Molecular Weight392.84 g/mol
Exact Mass392.13
IUPAC Name2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)c3cnc(Cl)[nH]3)CC2)cc1OC
InChIInChI=1S/C18H21ClN4O4/c1-26-14-4-3-11(9-15(14)27-2)17(25)23-7-5-12(6-8-23)21-16(24)13-10-20-18(19)22-13/h3-4,9-10,12H,5-8H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyRDLYCLFMWGHNRY-UHFFFAOYSA-N
XLogP2.11
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-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

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 47071571
2-amino-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119945642
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1,3-thiazolidine-4-carboxamide
CID 119330522
2-cyclopentyl-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]acetamide
CID 108935675
(E)-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-methylpent-2-enamide
CID 108935721
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 119330538
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
CID 122053880
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide (CID 155957395) is 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide is COc1ccc(C(=O)N2CCC(NC(=O)c3cnc(Cl)[nH]3)CC2)cc1OC.
What is the InChIKey of 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is RDLYCLFMWGHNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4/c1-26-14-4-3-11(9-15(14)27-2)17(25)23-7-5-12(6-8-23)21-16(24)13-10-20-18(19)22-13/h3-4,9-10,12H,5-8H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide?
2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 392.84 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 155957395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).