4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one

C17H22N4O2 — CID 70756865

IUPAC4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H22N4O2/c1-3-4-5-15-17(23)20(2)8-9-21(15)16(22)12-6-7-13-14(10-12)19-11-18-13/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyYACRQHASZSPVDQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.04
Rot. Bonds4

About 4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one

4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one (PubChem CID 70756865) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
PubChem CID70756865
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H22N4O2/c1-3-4-5-15-17(23)20(2)8-9-21(15)16(22)12-6-7-13-14(10-12)19-11-18-13/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyYACRQHASZSPVDQ-UHFFFAOYSA-N
XLogP2.04
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
3-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 70741313
4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63602039
3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
CID 131941063
4-(2-anilinopyrimidine-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70778714
3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
CID 131897843
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 43421691
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310
4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one
CID 70724503

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one?
The IUPAC name of 4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one (CID 70756865) is 4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one?
The canonical SMILES for 4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one is CCCCC1C(=O)N(C)CCN1C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of 4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one?
The InChIKey is YACRQHASZSPVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-4-5-15-17(23)20(2)8-9-21(15)16(22)12-6-7-13-14(10-12)19-11-18-13/h6-7,10-11,15H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one?
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one has a molecular weight of 314.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one is sourced from PubChem (CID 70756865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).