1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide

C24H29N5O3 — CID 20955888

IUPAC1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(n3cnc4cc(C(=O)N(C)C)ccc43)CC2)cc1
InChIInChI=1S/C24H29N5O3/c1-4-32-20-8-6-18(7-9-20)26-24(31)28-13-11-19(12-14-28)29-16-25-21-15-17(5-10-22(21)29)23(30)27(2)3/h5-10,15-16,19H,4,11-14H2,1-3H3,(H,26,31)
InChIKeySHOHSQLUJQTBIR-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.01
Rot. Bonds5

About 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide

1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide (PubChem CID 20955888) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide
PubChem CID20955888
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(n3cnc4cc(C(=O)N(C)C)ccc43)CC2)cc1
InChIInChI=1S/C24H29N5O3/c1-4-32-20-8-6-18(7-9-20)26-24(31)28-13-11-19(12-14-28)29-16-25-21-15-17(5-10-22(21)29)23(30)27(2)3/h5-10,15-16,19H,4,11-14H2,1-3H3,(H,26,31)
InChIKeySHOHSQLUJQTBIR-UHFFFAOYSA-N
XLogP4.01
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-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

2-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837657
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 50828339
N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 82087160
(4-propoxyphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
CID 46090269
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 50828271
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 47198823
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781139
N-(4-ethoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639320
4-(5-fluorobenzimidazol-1-yl)-N-(4-methoxyphenyl)piperidine-1-carbothioamide
CID 43814425
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide (CID 20955888) is 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide is CCOc1ccc(NC(=O)N2CCC(n3cnc4cc(C(=O)N(C)C)ccc43)CC2)cc1.
What is the InChIKey of 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide?
The InChIKey is SHOHSQLUJQTBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-4-32-20-8-6-18(7-9-20)26-24(31)28-13-11-19(12-14-28)29-16-25-21-15-17(5-10-22(21)29)23(30)27(2)3/h5-10,15-16,19H,4,11-14H2,1-3H3,(H,26,31).
What are the key properties of 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide?
1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 20955888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).