1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone

C17H24N2O — CID 828796

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H24N2O/c20-17(14-15-6-2-1-3-7-15)19-12-10-18(11-13-19)16-8-4-5-9-16/h1-3,6-7,16H,4-5,8-14H2
InChIKeyAGVZGHDKEWUKPG-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.32
Rot. Bonds3

About 1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone

1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone (PubChem CID 828796) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone
PubChem CID828796
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H24N2O/c20-17(14-15-6-2-1-3-7-15)19-12-10-18(11-13-19)16-8-4-5-9-16/h1-3,6-7,16H,4-5,8-14H2
InChIKeyAGVZGHDKEWUKPG-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone (CID 828796) is 1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone?
The InChIKey is AGVZGHDKEWUKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(14-15-6-2-1-3-7-15)19-12-10-18(11-13-19)16-8-4-5-9-16/h1-3,6-7,16H,4-5,8-14H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone has a molecular weight of 272.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-phenylethanone is sourced from PubChem (CID 828796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).