N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide

C14H18N4O2 — CID 14762867

IUPACN-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide
SMILESCN1CCC(NC(=O)n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C14H18N4O2/c1-17-8-6-10(7-9-17)15-13(19)18-12-5-3-2-4-11(12)16-14(18)20/h2-5,10H,6-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyDGZVCZGBFOFBMQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.98
Rot. Bonds1

About N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide

N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide (PubChem CID 14762867) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide
PubChem CID14762867
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide
SMILESCN1CCC(NC(=O)n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C14H18N4O2/c1-17-8-6-10(7-9-17)15-13(19)18-12-5-3-2-4-11(12)16-14(18)20/h2-5,10H,6-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyDGZVCZGBFOFBMQ-UHFFFAOYSA-N
XLogP0.98
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide (CID 14762867) is N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide is CN1CCC(NC(=O)n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
The InChIKey is DGZVCZGBFOFBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-8-6-10(7-9-17)15-13(19)18-12-5-3-2-4-11(12)16-14(18)20/h2-5,10H,6-9H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide?
N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-2-oxo-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 14762867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).