(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone

C16H21FN2O — CID 796441

IUPAC(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21FN2O/c17-15-8-4-3-7-14(15)16(20)19-11-9-18(10-12-19)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2
InChIKeyBTGYOAWIVUZXPQ-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.53
Rot. Bonds2

About (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone

(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone (PubChem CID 796441) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
PubChem CID796441
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H21FN2O/c17-15-8-4-3-7-14(15)16(20)19-11-9-18(10-12-19)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2
InChIKeyBTGYOAWIVUZXPQ-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone 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

(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
(4-chlorophenyl)-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]methanone
CID 55583894
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42114058
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
(4-cyclobutyl-1,4-diazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 131702225
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
2-cyclopentyloxy-1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 78898693

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone (CID 796441) is (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone?
The InChIKey is BTGYOAWIVUZXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-15-8-4-3-7-14(15)16(20)19-11-9-18(10-12-19)13-5-1-2-6-13/h3-4,7-8,13H,1-2,5-6,9-12H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone has a molecular weight of 276.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 796441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).