3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride

C13H25ClN2O — CID 119401435

IUPAC3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(CC1CCCC1)C(=O)N1CCNCC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-11(10-12-4-2-3-5-12)13(16)15-8-6-14-7-9-15;/h11-12,14H,2-10H2,1H3;1H
InChIKeyPVQJXTRYLBWXPW-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.06
Rot. Bonds3

About 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride

3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 119401435) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID119401435
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(CC1CCCC1)C(=O)N1CCNCC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-11(10-12-4-2-3-5-12)13(16)15-8-6-14-7-9-15;/h11-12,14H,2-10H2,1H3;1H
InChIKeyPVQJXTRYLBWXPW-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride 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

3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119577911
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119519329
3-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-methylpropan-1-one;hydrochloride
CID 119636556
3-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-methylpropan-1-one
CID 119636557
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119485730
3-cyclopentyl-2-methyl-N-(2-piperazin-1-ylethyl)propanamide
CID 119446426
2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119418106
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
3-cyclohexyl-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119397343
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 119401435) is 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride is CC(CC1CCCC1)C(=O)N1CCNCC1.Cl.
What is the InChIKey of 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is PVQJXTRYLBWXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-11(10-12-4-2-3-5-12)13(16)15-8-6-14-7-9-15;/h11-12,14H,2-10H2,1H3;1H.
What are the key properties of 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 119401435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).