[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone

C17H19ClN2O2 — CID 46579668

IUPAC[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H19ClN2O2/c1-13(15-4-2-3-5-16(15)18)19-7-9-20(10-8-19)17(21)14-6-11-22-12-14/h2-6,11-13H,7-10H2,1H3
InChIKeyJLXHZNMVVDDGOZ-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.45
Rot. Bonds3

About [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 46579668) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID46579668
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESCC(c1ccccc1Cl)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H19ClN2O2/c1-13(15-4-2-3-5-16(15)18)19-7-9-20(10-8-19)17(21)14-6-11-22-12-14/h2-6,11-13H,7-10H2,1H3
InChIKeyJLXHZNMVVDDGOZ-UHFFFAOYSA-N
XLogP3.45
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)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

(2-chlorophenyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 55362493
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 134043799
(5-bromofuran-2-yl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 42949339
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
[5-(aminomethyl)furan-2-yl]-[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 124690489
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
2-amino-1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119852079
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 56786100
[4-[(1R)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 95619699
1-[3-[4-[1-(2-chlorophenyl)ethyl]piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 55830150
(1-aminocyclopropyl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119852070
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258

Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone (CID 46579668) is [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone is CC(c1ccccc1Cl)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is JLXHZNMVVDDGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-13(15-4-2-3-5-16(15)18)19-7-9-20(10-8-19)17(21)14-6-11-22-12-14/h2-6,11-13H,7-10H2,1H3.
What are the key properties of [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 318.80 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 46579668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).