2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide

C15H18N4O2 — CID 9925900

IUPAC2-(1-acetylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(=O)N1CCC(CC1)C2=NC3=C(C=CC=C3N2)C(=O)N
InChIInChI=1S/C15H18N4O2/c1-9(20)19-7-5-10(6-8-19)15-17-12-4-2-3-11(14(16)21)13(12)18-15/h2-4,10H,5-8H2,1H3,(H2,16,21)(H,17,18)
InChIKeyIACRACWAOCNMPX-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.40
Rot. Bonds2

About 2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide

2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide (PubChem CID 9925900) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
PubChem CID9925900
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-(1-acetylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
SMILESCC(=O)N1CCC(CC1)C2=NC3=C(C=CC=C3N2)C(=O)N
InChIInChI=1S/C15H18N4O2/c1-9(20)19-7-5-10(6-8-19)15-17-12-4-2-3-11(14(16)21)13(12)18-15/h2-4,10H,5-8H2,1H3,(H2,16,21)(H,17,18)
InChIKeyIACRACWAOCNMPX-UHFFFAOYSA-N
XLogP0.40
TPSA92.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity420

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide (CID 9925900) is 2-(1-acetylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide is CC(=O)N1CCC(CC1)C2=NC3=C(C=CC=C3N2)C(=O)N.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide?
The InChIKey is IACRACWAOCNMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9(20)19-7-5-10(6-8-19)15-17-12-4-2-3-11(14(16)21)13(12)18-15/h2-4,10H,5-8H2,1H3,(H2,16,21)(H,17,18).
What are the key properties of 2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide?
2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide is sourced from PubChem (CID 9925900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).