3-cyclopentyl-1-piperazin-1-ylpropan-1-one

C12H22N2O — CID 767567

IUPAC3-cyclopentyl-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCNCC1
InChIInChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2
InChIKeyPUCYMVZANVWWKV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds3

About 3-cyclopentyl-1-piperazin-1-ylpropan-1-one

3-cyclopentyl-1-piperazin-1-ylpropan-1-one (PubChem CID 767567) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-cyclopentyl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-piperazin-1-ylpropan-1-one
PubChem CID767567
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-cyclopentyl-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCNCC1
InChIInChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2
InChIKeyPUCYMVZANVWWKV-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-cyclopentyl-1-piperazin-1-ylpropan-1-one (CID 767567) is 3-cyclopentyl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-cyclopentyl-1-piperazin-1-ylpropan-1-one is O=C(CCC1CCCC1)N1CCNCC1.
What is the InChIKey of 3-cyclopentyl-1-piperazin-1-ylpropan-1-one?
The InChIKey is PUCYMVZANVWWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2.
What are the key properties of 3-cyclopentyl-1-piperazin-1-ylpropan-1-one?
3-cyclopentyl-1-piperazin-1-ylpropan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 767567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).