3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride

C14H27ClN2O — CID 119577911

IUPAC3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC1CN(C(=O)C(C)CC2CCCC2)CCN1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-11(9-13-5-3-4-6-13)14(17)16-8-7-15-12(2)10-16;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyNQTOJYZJYPKFQG-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.44
Rot. Bonds3

About 3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride

3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 119577911) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID119577911
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC1CN(C(=O)C(C)CC2CCCC2)CCN1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-11(9-13-5-3-4-6-13)14(17)16-8-7-15-12(2)10-16;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyNQTOJYZJYPKFQG-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435
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
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119485730
(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
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119519329
4-cyclohexyl-1-(3-methylpiperazin-1-yl)butan-1-one
CID 115273103
2-methyl-1-(3-methylpiperazin-1-yl)-4-phenoxybutan-1-one;hydrochloride
CID 119580316
1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256212
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580841
N-[4-(3-methylpiperazin-1-yl)-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 119577168

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride (CID 119577911) is 3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride is CC1CN(C(=O)C(C)CC2CCCC2)CCN1.Cl.
What is the InChIKey of 3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is NQTOJYZJYPKFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-11(9-13-5-3-4-6-13)14(17)16-8-7-15-12(2)10-16;/h11-13,15H,3-10H2,1-2H3;1H.
What are the key properties of 3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride?
3-cyclopentyl-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.44, 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-(3-methylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119577911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).