2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide

C13H16N4O2 — CID 169489623

IUPAC2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide
SMILESO=C1N=C2C=CC(C(=O)NC3CCNCC3)C=C2N1
InChIInChI=1S/C13H16N4O2/c18-12(15-9-3-5-14-6-4-9)8-1-2-10-11(7-8)17-13(19)16-10/h1-2,7-9,14H,3-6H2,(H,15,18)(H,17,19)
InChIKeyQGWVNLCRSHTTPJ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.09
Rot. Bonds2

About 2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide

2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide (PubChem CID 169489623) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide
PubChem CID169489623
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide
SMILESO=C1N=C2C=CC(C(=O)NC3CCNCC3)C=C2N1
InChIInChI=1S/C13H16N4O2/c18-12(15-9-3-5-14-6-4-9)8-1-2-10-11(7-8)17-13(19)16-10/h1-2,7-9,14H,3-6H2,(H,15,18)(H,17,19)
InChIKeyQGWVNLCRSHTTPJ-UHFFFAOYSA-N
XLogP0.09
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of 2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide (CID 169489623) is 2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for 2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide is O=C1N=C2C=CC(C(=O)NC3CCNCC3)C=C2N1.
What is the InChIKey of 2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide?
The InChIKey is QGWVNLCRSHTTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-12(15-9-3-5-14-6-4-9)8-1-2-10-11(7-8)17-13(19)16-10/h1-2,7-9,14H,3-6H2,(H,15,18)(H,17,19).
What are the key properties of 2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide?
2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-piperidin-4-yl-3,5-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 169489623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).