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

C16H28N2O2 — CID 63374451

IUPAC4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one
SMILESCCCCC1CCC(C(=O)N2CCNC(=O)C2C)CC1
InChIInChI=1S/C16H28N2O2/c1-3-4-5-13-6-8-14(9-7-13)16(20)18-11-10-17-15(19)12(18)2/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyNIZSGCZXZLGAMT-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds4

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

4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one (PubChem CID 63374451) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one
PubChem CID63374451
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one
SMILESCCCCC1CCC(C(=O)N2CCNC(=O)C2C)CC1
InChIInChI=1S/C16H28N2O2/c1-3-4-5-13-6-8-14(9-7-13)16(20)18-11-10-17-15(19)12(18)2/h12-14H,3-11H2,1-2H3,(H,17,19)
InChIKeyNIZSGCZXZLGAMT-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-4-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 63373671
3-methyl-4-[(3S)-piperidine-3-carbonyl]piperazin-2-one
CID 81139872
4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one
CID 114094357
1-[1-(4-butylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538798
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
[2-(bromomethyl)azepan-1-yl]-(4-butylcyclohexyl)methanone
CID 116639412
(4-butylcyclohexyl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66210339
3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one
CID 63078843
[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one
CID 63714193

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one (CID 63374451) is 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one is CCCCC1CCC(C(=O)N2CCNC(=O)C2C)CC1.
What is the InChIKey of 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one?
The InChIKey is NIZSGCZXZLGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-4-5-13-6-8-14(9-7-13)16(20)18-11-10-17-15(19)12(18)2/h12-14H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one?
4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one has a molecular weight of 280.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63374451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).