N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide

C15H18N4O3 — CID 169489604

IUPACN-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2C=CC3=NC(=O)NC3=C2)CC1
InChIInChI=1S/C15H18N4O3/c1-9(20)19-6-4-11(5-7-19)16-14(21)10-2-3-12-13(8-10)18-15(22)17-12/h2-3,8,10-11H,4-7H2,1H3,(H,16,21)(H,18,22)
InChIKeyXDRUKZQDQSBPKF-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.35
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide

N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide (PubChem CID 169489604) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide
PubChem CID169489604
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2C=CC3=NC(=O)NC3=C2)CC1
InChIInChI=1S/C15H18N4O3/c1-9(20)19-6-4-11(5-7-19)16-14(21)10-2-3-12-13(8-10)18-15(22)17-12/h2-3,8,10-11H,4-7H2,1H3,(H,16,21)(H,18,22)
InChIKeyXDRUKZQDQSBPKF-UHFFFAOYSA-N
XLogP0.35
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide (CID 169489604) is N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide is CC(=O)N1CCC(NC(=O)C2C=CC3=NC(=O)NC3=C2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide?
The InChIKey is XDRUKZQDQSBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9(20)19-6-4-11(5-7-19)16-14(21)10-2-3-12-13(8-10)18-15(22)17-12/h2-3,8,10-11H,4-7H2,1H3,(H,16,21)(H,18,22).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide?
N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 169489604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).