2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone

C13H24N2O — CID 79506874

IUPAC2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
SMILESCC1(C)CN(C(=O)CC2CCCC2)CCN1
InChIInChI=1S/C13H24N2O/c1-13(2)10-15(8-7-14-13)12(16)9-11-5-3-4-6-11/h11,14H,3-10H2,1-2H3
InChIKeyMLHSXWNGZDETER-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds2

About 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone

2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone (PubChem CID 79506874) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
PubChem CID79506874
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone
SMILESCC1(C)CN(C(=O)CC2CCCC2)CCN1
InChIInChI=1S/C13H24N2O/c1-13(2)10-15(8-7-14-13)12(16)9-11-5-3-4-6-11/h11,14H,3-10H2,1-2H3
InChIKeyMLHSXWNGZDETER-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptyl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506379
1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
CID 79001578
2-cyclohexyl-1-(3,3-dimethylazetidin-1-yl)ethanone
CID 170787386
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
(3,3-dimethylpiperazin-1-yl)-(thian-2-yl)methanone
CID 82993770
2-cyclopentyl-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706726
2-cyclohexyl-1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone
CID 120903102
2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride
CID 155856169
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120805178
2,2,2-trichloro-1-(3,3-dimethylpiperazin-1-yl)ethanone
CID 82245855
2-cyclohexyl-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 65463150

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone (CID 79506874) is 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone is CC1(C)CN(C(=O)CC2CCCC2)CCN1.
What is the InChIKey of 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone?
The InChIKey is MLHSXWNGZDETER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)10-15(8-7-14-13)12(16)9-11-5-3-4-6-11/h11,14H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone?
2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3,3-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 79506874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).