4-(2-methylpentanoyl)piperazin-2-one

C10H18N2O2 — CID 42930413

IUPAC4-(2-methylpentanoyl)piperazin-2-one
SMILESCCCC(C)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-3-4-8(2)10(14)12-6-5-11-9(13)7-12/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyMVIZGBBQCWNPQC-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.38
Rot. Bonds3

About 4-(2-methylpentanoyl)piperazin-2-one

4-(2-methylpentanoyl)piperazin-2-one (PubChem CID 42930413) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(2-methylpentanoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-methylpentanoyl)piperazin-2-one
PubChem CID42930413
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(2-methylpentanoyl)piperazin-2-one
SMILESCCCC(C)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-3-4-8(2)10(14)12-6-5-11-9(13)7-12/h8H,3-7H2,1-2H3,(H,11,13)
InChIKeyMVIZGBBQCWNPQC-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-amino-2-methylpentanoyl)piperazin-2-one
CID 104683524
4-(2-aminohexanoyl)piperazin-2-one
CID 60853843
4-(2-phenylpentanoyl)piperazin-2-one
CID 42910023
4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one
CID 65366124
4-[(2S)-2-aminobutanoyl]piperazin-2-one
CID 79025324
4-(2-methylsulfanylpropanoyl)piperazin-2-one
CID 126998947
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
2,2-dimethylhexan-3-yl 3-oxopiperazine-1-carboxylate
CID 169260496
4-acetylpiperazin-2-one
CID 12744517
N-[4-methylsulfanyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]ethanesulfonamide
CID 62849678
N-[3-methyl-1-oxo-1-(3-oxopiperazin-1-yl)butan-2-yl]acetamide
CID 60636396
2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 63004650

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentanoyl)piperazin-2-one?
The IUPAC name of 4-(2-methylpentanoyl)piperazin-2-one (CID 42930413) is 4-(2-methylpentanoyl)piperazin-2-one.
What is the SMILES notation for 4-(2-methylpentanoyl)piperazin-2-one?
The canonical SMILES for 4-(2-methylpentanoyl)piperazin-2-one is CCCC(C)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2-methylpentanoyl)piperazin-2-one?
The InChIKey is MVIZGBBQCWNPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-4-8(2)10(14)12-6-5-11-9(13)7-12/h8H,3-7H2,1-2H3,(H,11,13).
What are the key properties of 4-(2-methylpentanoyl)piperazin-2-one?
4-(2-methylpentanoyl)piperazin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentanoyl)piperazin-2-one is sourced from PubChem (CID 42930413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).