[4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone

C17H23ClFN3O — CID 126712022

IUPAC[4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone
SMILESNc1cc(F)cc(CN2CCN(C(=O)C3CCCC3)CC2)c1Cl
InChIInChI=1S/C17H23ClFN3O/c18-16-13(9-14(19)10-15(16)20)11-21-5-7-22(8-6-21)17(23)12-3-1-2-4-12/h9-10,12H,1-8,11,20H2
InChIKeyHFVYDQZXZKHQJB-UHFFFAOYSA-N
MW339.84 g/mol
LogP2.90
Rot. Bonds3

About [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone

[4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 126712022) has the molecular formula C17H23ClFN3O and a molecular weight of 339.84 g/mol. Its IUPAC name is [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone
PubChem CID126712022
Molecular FormulaC17H23ClFN3O
Molecular Weight339.84 g/mol
Exact Mass339.15
IUPAC Name[4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone
SMILESNc1cc(F)cc(CN2CCN(C(=O)C3CCCC3)CC2)c1Cl
InChIInChI=1S/C17H23ClFN3O/c18-16-13(9-14(19)10-15(16)20)11-21-5-7-22(8-6-21)17(23)12-3-1-2-4-12/h9-10,12H,1-8,11,20H2
InChIKeyHFVYDQZXZKHQJB-UHFFFAOYSA-N
XLogP2.90
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone 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-[(3-amino-2-chloro-5-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-cyclopentylmethanone
CID 118452301
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]benzamide
CID 130451217
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 42923947
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119853322
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
[(3S)-1,1-dioxothiolan-3-yl]-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 8530548
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
3-cyano-N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-4-fluorobenzamide
CID 126712151

Frequently Asked Questions

What is the IUPAC name of [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone (CID 126712022) is [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone is Nc1cc(F)cc(CN2CCN(C(=O)C3CCCC3)CC2)c1Cl.
What is the InChIKey of [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is HFVYDQZXZKHQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN3O/c18-16-13(9-14(19)10-15(16)20)11-21-5-7-22(8-6-21)17(23)12-3-1-2-4-12/h9-10,12H,1-8,11,20H2.
What are the key properties of [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone?
[4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 339.84 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-amino-2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 126712022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).