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

C16H15ClN2O3 — CID 792960

IUPAC(4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H15ClN2O3/c17-13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-22-14/h1-6,11H,7-10H2
InChIKeyKLRJZLNHSDXZIF-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.53
Rot. Bonds2

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

(4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 792960) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID792960
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name(4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H15ClN2O3/c17-13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-22-14/h1-6,11H,7-10H2
InChIKeyKLRJZLNHSDXZIF-UHFFFAOYSA-N
XLogP2.53
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 792960) is (4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is KLRJZLNHSDXZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-13-5-3-12(4-6-13)15(20)18-7-9-19(10-8-18)16(21)14-2-1-11-22-14/h1-6,11H,7-10H2.
What are the key properties of (4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 318.76 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 792960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).