1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one

C18H32N2O — CID 787174

IUPAC1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H32N2O/c21-18(11-10-16-6-4-5-7-16)20-14-12-19(13-15-20)17-8-2-1-3-9-17/h16-17H,1-15H2
InChIKeyRLKPYWIBOZPCRV-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.43
Rot. Bonds4

About 1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one

1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one (PubChem CID 787174) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one
PubChem CID787174
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C18H32N2O/c21-18(11-10-16-6-4-5-7-16)20-14-12-19(13-15-20)17-8-2-1-3-9-17/h16-17H,1-15H2
InChIKeyRLKPYWIBOZPCRV-UHFFFAOYSA-N
XLogP3.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one (CID 787174) is 1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one?
The InChIKey is RLKPYWIBOZPCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c21-18(11-10-16-6-4-5-7-16)20-14-12-19(13-15-20)17-8-2-1-3-9-17/h16-17H,1-15H2.
What are the key properties of 1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one?
1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one has a molecular weight of 292.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylpiperazin-1-yl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 787174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).