4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one

C20H28N2O2 — CID 110398502

IUPAC4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one
SMILESO=C(CCCN1CCN(C(=O)C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C20H28N2O2/c23-19(17-7-2-1-3-8-17)11-6-12-21-13-15-22(16-14-21)20(24)18-9-4-5-10-18/h1-3,7-8,18H,4-6,9-16H2
InChIKeyMIOHAVBBFNVTAD-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.98
Rot. Bonds6

About 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one

4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one (PubChem CID 110398502) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one
PubChem CID110398502
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one
SMILESO=C(CCCN1CCN(C(=O)C2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C20H28N2O2/c23-19(17-7-2-1-3-8-17)11-6-12-21-13-15-22(16-14-21)20(24)18-9-4-5-10-18/h1-3,7-8,18H,4-6,9-16H2
InChIKeyMIOHAVBBFNVTAD-UHFFFAOYSA-N
XLogP2.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 69351372
1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
CID 12940306
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
CID 166604154
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-phenylbutan-1-one
CID 63151034
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one
CID 827253
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one?
The IUPAC name of 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one (CID 110398502) is 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one.
What is the SMILES notation for 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one?
The canonical SMILES for 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one is O=C(CCCN1CCN(C(=O)C2CCCC2)CC1)c1ccccc1.
What is the InChIKey of 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one?
The InChIKey is MIOHAVBBFNVTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(17-7-2-1-3-8-17)11-6-12-21-13-15-22(16-14-21)20(24)18-9-4-5-10-18/h1-3,7-8,18H,4-6,9-16H2.
What are the key properties of 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one?
4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one has a molecular weight of 328.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one is sourced from PubChem (CID 110398502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).