N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide

C15H20N4O2 — CID 162475306

IUPACN-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(CCO)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H20N4O2/c20-8-7-19-5-3-12(4-6-19)18-15(21)11-1-2-13-14(9-11)17-10-16-13/h1-2,9-10,12,20H,3-8H2,(H,16,17)(H,18,21)
InChIKeyDJAYHNWSDNKUAB-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.75
Rot. Bonds4

About N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide

N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 162475306) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
PubChem CID162475306
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCN(CCO)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H20N4O2/c20-8-7-19-5-3-12(4-6-19)18-15(21)11-1-2-13-14(9-11)17-10-16-13/h1-2,9-10,12,20H,3-8H2,(H,16,17)(H,18,21)
InChIKeyDJAYHNWSDNKUAB-UHFFFAOYSA-N
XLogP0.75
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554461
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554556
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554460
butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
CID 108561542
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-(3-aminocyclobutyl)-3H-benzimidazole-5-carboxamide
CID 43594956
N-(3-methylcyclopentyl)-3H-benzimidazole-5-carboxamide
CID 114549479
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
N-(3,5-dimethylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 64722974

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide (CID 162475306) is N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is O=C(NC1CCN(CCO)CC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is DJAYHNWSDNKUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-8-7-19-5-3-12(4-6-19)18-15(21)11-1-2-13-14(9-11)17-10-16-13/h1-2,9-10,12,20H,3-8H2,(H,16,17)(H,18,21).
What are the key properties of N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide?
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 162475306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).