1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one

C17H30N2O2 — CID 776717

IUPAC1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-14(2)13-17(21)19-11-9-18(10-12-19)16(20)8-7-15-5-3-4-6-15/h14-15H,3-13H2,1-2H3
InChIKeyIIENNCMXGCHZTN-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.67
Rot. Bonds5

About 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 776717) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID776717
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C17H30N2O2/c1-14(2)13-17(21)19-11-9-18(10-12-19)16(20)8-7-15-5-3-4-6-15/h14-15H,3-13H2,1-2H3
InChIKeyIIENNCMXGCHZTN-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one (CID 776717) is 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is IIENNCMXGCHZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(2)13-17(21)19-11-9-18(10-12-19)16(20)8-7-15-5-3-4-6-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 776717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).