2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone

C13H24N2O — CID 63911167

IUPAC2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
SMILESCC1CNCC(C)N1C(=O)CC1CCCC1
InChIInChI=1S/C13H24N2O/c1-10-8-14-9-11(2)15(10)13(16)7-12-5-3-4-6-12/h10-12,14H,3-9H2,1-2H3
InChIKeyVJDZFJCCOOLAJH-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds2

About 2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone

2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone (PubChem CID 63911167) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
PubChem CID63911167
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
SMILESCC1CNCC(C)N1C(=O)CC1CCCC1
InChIInChI=1S/C13H24N2O/c1-10-8-14-9-11(2)15(10)13(16)7-12-5-3-4-6-12/h10-12,14H,3-9H2,1-2H3
InChIKeyVJDZFJCCOOLAJH-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

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Related Compounds

2-cyclohexyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63909211
2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 103810444
2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride
CID 130670860
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-cyclopentylethanone
CID 124835824
2-[4-(aminomethyl)cyclohexyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104968929
1-[(2R,3aS,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-(3-methylcyclohexyl)ethanone
CID 166250727
7-bicyclo[4.1.0]heptanyl-(2,6-dimethylpiperazin-1-yl)methanone
CID 81479273
1-[(2R)-2,6-dimethylpiperazin-1-yl]ethanone
CID 143550985
1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 12914605
1-(cyclopentylmethyl)-2,6-dimethylpiperazine
CID 63911622
2-(3-methylcyclohexyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119472160
1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 153467077

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone (CID 63911167) is 2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone is CC1CNCC(C)N1C(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone?
The InChIKey is VJDZFJCCOOLAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-8-14-9-11(2)15(10)13(16)7-12-5-3-4-6-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone?
2-cyclopentyl-1-(2,6-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-(2,6-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63911167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).