1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one

C19H27ClN2O — CID 764876

IUPAC1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C19H27ClN2O/c20-18-8-4-3-7-17(18)15-21-11-13-22(14-12-21)19(23)10-9-16-5-1-2-6-16/h3-4,7-8,16H,1-2,5-6,9-15H2
InChIKeyACMYLPIAWKPDEW-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one

1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 764876) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID764876
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C19H27ClN2O/c20-18-8-4-3-7-17(18)15-21-11-13-22(14-12-21)19(23)10-9-16-5-1-2-6-16/h3-4,7-8,16H,1-2,5-6,9-15H2
InChIKeyACMYLPIAWKPDEW-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one (CID 764876) is 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)N1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is ACMYLPIAWKPDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c20-18-8-4-3-7-17(18)15-21-11-13-22(14-12-21)19(23)10-9-16-5-1-2-6-16/h3-4,7-8,16H,1-2,5-6,9-15H2.
What are the key properties of 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 334.89 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 764876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).