1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one

C14H26N2O — CID 116924102

IUPAC1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one
SMILESCC(C)(CC(=O)C1CCCC1)N1CCNCC1
InChIInChI=1S/C14H26N2O/c1-14(2,16-9-7-15-8-10-16)11-13(17)12-5-3-4-6-12/h12,15H,3-11H2,1-2H3
InChIKeyCOWLPOKQNOQZIW-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.82
Rot. Bonds4

About 1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one

1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one (PubChem CID 116924102) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one
PubChem CID116924102
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one
SMILESCC(C)(CC(=O)C1CCCC1)N1CCNCC1
InChIInChI=1S/C14H26N2O/c1-14(2,16-9-7-15-8-10-16)11-13(17)12-5-3-4-6-12/h12,15H,3-11H2,1-2H3
InChIKeyCOWLPOKQNOQZIW-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599107
3-amino-1-cyclopentyl-3-methylbutan-1-one
CID 82412671
1-cyclohexyl-1-piperazin-1-ylethanol
CID 69265314
N-(2-methyl-2-piperazin-1-ylpropyl)cyclopentanamine
CID 80551380
N-(3,3-dimethylbutyl)-3-methyl-3-piperazin-1-ylbutanamide
CID 115189208
1-(2-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924095
2-cyclohexyl-2-(1,4-diazepan-1-yl)propanoic acid
CID 63323969
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
CID 80551419
1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
CID 116918923
2-cyclopentyl-2-(1,4-diazepan-1-yl)propan-1-ol
CID 64757089
1-cyclopropyl-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599296
1-(2-cyclobutylpropan-2-yl)piperazine
CID 116964788

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one?
The IUPAC name of 1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one (CID 116924102) is 1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one.
What is the SMILES notation for 1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one?
The canonical SMILES for 1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one is CC(C)(CC(=O)C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one?
The InChIKey is COWLPOKQNOQZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,16-9-7-15-8-10-16)11-13(17)12-5-3-4-6-12/h12,15H,3-11H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one?
1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one has a molecular weight of 238.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one is sourced from PubChem (CID 116924102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).