[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone

C22H19FN2O3 — CID 1070450

IUPAC[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C22H19FN2O3/c23-17-6-8-18(9-7-17)24-12-14-25(15-13-24)22(27)20-11-10-19(28-20)21(26)16-4-2-1-3-5-16/h1-11H,12-15H2
InChIKeyFMBCRSJKWVTHQT-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.61
Rot. Bonds4

About [5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone

[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone (PubChem CID 1070450) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is [5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone
PubChem CID1070450
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C22H19FN2O3/c23-17-6-8-18(9-7-17)24-12-14-25(15-13-24)22(27)20-11-10-19(28-20)21(26)16-4-2-1-3-5-16/h1-11H,12-15H2
InChIKeyFMBCRSJKWVTHQT-UHFFFAOYSA-N
XLogP3.61
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone?
The IUPAC name of [5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone (CID 1070450) is [5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone.
What is the SMILES notation for [5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone?
The canonical SMILES for [5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone is O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1.
What is the InChIKey of [5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone?
The InChIKey is FMBCRSJKWVTHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-17-6-8-18(9-7-17)24-12-14-25(15-13-24)22(27)20-11-10-19(28-20)21(26)16-4-2-1-3-5-16/h1-11H,12-15H2.
What are the key properties of [5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone?
[5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone has a molecular weight of 378.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(4-fluorophenyl)piperazine-1-carbonyl]furan-2-yl]-phenylmethanone is sourced from PubChem (CID 1070450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).