N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide

C14H18N4O — CID 106995338

IUPACN-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
SMILESCC1CC(NC(=O)c2ccc3nc[nH]c3c2)CCN1
InChIInChI=1S/C14H18N4O/c1-9-6-11(4-5-15-9)18-14(19)10-2-3-12-13(7-10)17-8-16-12/h2-3,7-9,11,15H,4-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyPOJXYLXOZNTXJR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.43
Rot. Bonds2

About N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide

N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 106995338) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
PubChem CID106995338
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
SMILESCC1CC(NC(=O)c2ccc3nc[nH]c3c2)CCN1
InChIInChI=1S/C14H18N4O/c1-9-6-11(4-5-15-9)18-14(19)10-2-3-12-13(7-10)17-8-16-12/h2-3,7-9,11,15H,4-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyPOJXYLXOZNTXJR-UHFFFAOYSA-N
XLogP1.43
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
3-N,3-N-dimethyl-1-N-(2-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120599313
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide (CID 106995338) is N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide is CC1CC(NC(=O)c2ccc3nc[nH]c3c2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is POJXYLXOZNTXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-6-11(4-5-15-9)18-14(19)10-2-3-12-13(7-10)17-8-16-12/h2-3,7-9,11,15H,4-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide?
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 106995338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).