2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C17H17ClN2O3 — CID 974132

IUPAC2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H17ClN2O3/c18-14-5-3-13(4-6-14)12-16(21)19-7-9-20(10-8-19)17(22)15-2-1-11-23-15/h1-6,11H,7-10,12H2
InChIKeyNJWNORNAZVOXLX-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.46
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 974132) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID974132
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H17ClN2O3/c18-14-5-3-13(4-6-14)12-16(21)19-7-9-20(10-8-19)17(22)15-2-1-11-23-15/h1-6,11H,7-10,12H2
InChIKeyNJWNORNAZVOXLX-UHFFFAOYSA-N
XLogP2.46
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
CID 24857857
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
N-{(1Z)-1-(4-chlorophenyl)-3-[(furan-2-ylmethyl)amino]-3-oxoprop-1-en-2-yl}furan-2-carboxamide
CID 1367315
1-{[5-(4-Chlorophenyl)-2-furyl]methyl}piperidine
CID 782099
1-[(4-Chlorobenzyl)sulfonyl]-4-(2-furoyl)piperazine
CID 2230064
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2335760
2-[3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl]-N-(2-furylmethyl)-N-methylacetamide
CID 4293941
Furan-2-yl-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 652876
N-[2-phenyl-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 738317
[5-(2,4-Dichlorophenyl)furan-2-yl](morpholin-4-yl)methanone
CID 919410
5-(3-chlorophenyl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 944598
4-[5-(2,3-Dichlorophenyl)-2-furoyl]morpholine
CID 952243

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 974132) is 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is NJWNORNAZVOXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-14-5-3-13(4-6-14)12-16(21)19-7-9-20(10-8-19)17(22)15-2-1-11-23-15/h1-6,11H,7-10,12H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 332.79 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 974132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).