4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one

C11H18N2O2 — CID 79506767

IUPAC4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
SMILESCC(C(=O)N1CCNC(=O)C1C)C1CC1
InChIInChI=1S/C11H18N2O2/c1-7(9-3-4-9)11(15)13-6-5-12-10(14)8(13)2/h7-9H,3-6H2,1-2H3,(H,12,14)
InChIKeyDVPNLQTUQLDECE-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.38
Rot. Bonds2

About 4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one

4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one (PubChem CID 79506767) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
PubChem CID79506767
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
SMILESCC(C(=O)N1CCNC(=O)C1C)C1CC1
InChIInChI=1S/C11H18N2O2/c1-7(9-3-4-9)11(15)13-6-5-12-10(14)8(13)2/h7-9H,3-6H2,1-2H3,(H,12,14)
InChIKeyDVPNLQTUQLDECE-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-[2-(4-fluorophenoxy)propanoyl]-3-methylpiperazin-2-one
CID 63373720
3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 81069306
(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
CID 129371182
4-[(2S)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one
CID 63605877
4-[(2R)-2-amino-4-methylsulfanylbutanoyl]-3-methylpiperazin-2-one
CID 104908462
(2S)-2-hydroxy-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 107839956
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 63607472
2-methyl-N-(2-methylpropyl)-3-oxopiperazine-1-carbothioamide
CID 116508580

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one (CID 79506767) is 4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one is CC(C(=O)N1CCNC(=O)C1C)C1CC1.
What is the InChIKey of 4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one?
The InChIKey is DVPNLQTUQLDECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(9-3-4-9)11(15)13-6-5-12-10(14)8(13)2/h7-9H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one?
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 79506767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).