N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

C22H25N5O2 — CID 146045162

IUPACN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCN(CCn1cnc2ccccc21)C(=O)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C22H25N5O2/c1-25(14-15-27-16-24-19-4-2-3-5-20(19)27)21(28)18-8-12-26(13-9-18)22(29)17-6-10-23-11-7-17/h2-7,10-11,16,18H,8-9,12-15H2,1H3
InChIKeyNESQVIDTYJPCBJ-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide

N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (PubChem CID 146045162) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
PubChem CID146045162
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
SMILESCN(CCn1cnc2ccccc21)C(=O)C1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C22H25N5O2/c1-25(14-15-27-16-24-19-4-2-3-5-20(19)27)21(28)18-8-12-26(13-9-18)22(29)17-6-10-23-11-7-17/h2-7,10-11,16,18H,8-9,12-15H2,1H3
InChIKeyNESQVIDTYJPCBJ-UHFFFAOYSA-N
XLogP2.44
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-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-[2-(benzimidazol-1-yl)ethyl]-N-methyl-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 146038100
[4-[2-(benzimidazol-1-yl)ethyl-methylamino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 146045298
4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
CID 119173154
N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119659992
N-benzyl-N-methyl-1-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)piperidine-4-carboxamide
CID 162627940
1-benzoyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110307099
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 146045481
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride
CID 171325152
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(benzimidazol-1-yl)propan-1-one
CID 119410362
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
1-benzoyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 136528098

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide (CID 146045162) is N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is CN(CCn1cnc2ccccc21)C(=O)C1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is NESQVIDTYJPCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-25(14-15-27-16-24-19-4-2-3-5-20(19)27)21(28)18-8-12-26(13-9-18)22(29)17-6-10-23-11-7-17/h2-7,10-11,16,18H,8-9,12-15H2,1H3.
What are the key properties of N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide?
N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 146045162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).