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

C16H20N4O3 — CID 169489654

IUPACN-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide
SMILESCC(=O)N1CCC(N(C)C(=O)C2C=CC3=NC(=O)NC3=C2)CC1
InChIInChI=1S/C16H20N4O3/c1-10(21)20-7-5-12(6-8-20)19(2)15(22)11-3-4-13-14(9-11)18-16(23)17-13/h3-4,9,11-12H,5-8H2,1-2H3,(H,18,23)
InChIKeyFUWQGCQUIMASNQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.69
Rot. Bonds2

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

N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide (PubChem CID 169489654) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide
PubChem CID169489654
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide
SMILESCC(=O)N1CCC(N(C)C(=O)C2C=CC3=NC(=O)NC3=C2)CC1
InChIInChI=1S/C16H20N4O3/c1-10(21)20-7-5-12(6-8-20)19(2)15(22)11-3-4-13-14(9-11)18-16(23)17-13/h3-4,9,11-12H,5-8H2,1-2H3,(H,18,23)
InChIKeyFUWQGCQUIMASNQ-UHFFFAOYSA-N
XLogP0.69
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US11787802, Example 62
CID 169489632
5-(4-Acetylpiperazine-1-carbonyl)-1H-benzo[d]imidazol-2(3H)-one
CID 169489603
US11787802, Example 23
CID 169489604
US11787802, Example 29
CID 169489608
2-Oxo-N-(4-piperidyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 169489623
6-tert-butyl-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 99970992
6-tert-butyl-N-(1-isopropylpiperidin-4-yl)-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 90647828
4-(3-Methyl-2-oxopyrrolo[3,2-b]pyridin-1-ium-1-yl)piperidine-1-carboxamide
CID 91578670
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50956693
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]propanamide
CID 56749579
6-tert-butyl-N-[(1-ethylpiperidin-4-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 77094035
6-isobutyl-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]-2-oxo-1,2-dihydropyrimidine-4-carboxamide
CID 77095613

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide (CID 169489654) is N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide is CC(=O)N1CCC(N(C)C(=O)C2C=CC3=NC(=O)NC3=C2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide?
The InChIKey is FUWQGCQUIMASNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10(21)20-7-5-12(6-8-20)19(2)15(22)11-3-4-13-14(9-11)18-16(23)17-13/h3-4,9,11-12H,5-8H2,1-2H3,(H,18,23).
What are the key properties of N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide?
N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-N-methyl-2-oxo-3,5-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 169489654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).