4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one

C14H16N4O2 — CID 63602039

IUPAC4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H16N4O2/c1-2-12-13(19)15-5-6-18(12)14(20)9-3-4-10-11(7-9)17-8-16-10/h3-4,7-8,12H,2,5-6H2,1H3,(H,15,19)(H,16,17)
InChIKeyMQOCDFPYZMIUAY-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.91
Rot. Bonds2

About 4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one

4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one (PubChem CID 63602039) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
PubChem CID63602039
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H16N4O2/c1-2-12-13(19)15-5-6-18(12)14(20)9-3-4-10-11(7-9)17-8-16-10/h3-4,7-8,12H,2,5-6H2,1H3,(H,15,19)(H,16,17)
InChIKeyMQOCDFPYZMIUAY-UHFFFAOYSA-N
XLogP0.91
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 97096717
2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126436640
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
CID 95330414
3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 63602774
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
(3S)-3-ethyl-4-[4-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]benzoyl]piperazin-2-one
CID 125437778
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one (CID 63602039) is 4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one is CCC1C(=O)NCCN1C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one?
The InChIKey is MQOCDFPYZMIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-12-13(19)15-5-6-18(12)14(20)9-3-4-10-11(7-9)17-8-16-10/h3-4,7-8,12H,2,5-6H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one?
4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one has a molecular weight of 272.31 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 63602039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).