[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone

C15H17ClF2N2O — CID 120802294

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H17ClF2N2O/c16-12-3-1-2-10(6-12)13-9-19-4-5-20(13)14(21)11-7-15(17,18)8-11/h1-3,6,11,13,19H,4-5,7-9H2
InChIKeyMXKHVGFNMROEDP-UHFFFAOYSA-N
MW314.76 g/mol
LogP2.86
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone

[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone (PubChem CID 120802294) has the molecular formula C15H17ClF2N2O and a molecular weight of 314.76 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
PubChem CID120802294
Molecular FormulaC15H17ClF2N2O
Molecular Weight314.76 g/mol
Exact Mass314.10
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H17ClF2N2O/c16-12-3-1-2-10(6-12)13-9-19-4-5-20(13)14(21)11-7-15(17,18)8-11/h1-3,6,11,13,19H,4-5,7-9H2
InChIKeyMXKHVGFNMROEDP-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)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

5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 120802900
[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120803594
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120802103
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone (CID 120802294) is [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone is O=C(C1CC(F)(F)C1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone?
The InChIKey is MXKHVGFNMROEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2O/c16-12-3-1-2-10(6-12)13-9-19-4-5-20(13)14(21)11-7-15(17,18)8-11/h1-3,6,11,13,19H,4-5,7-9H2.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone?
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone has a molecular weight of 314.76 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 120802294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).