[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone

C26H28FN3O2 — CID 24817148

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccco2)c1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C26H28FN3O2/c27-22-8-10-23(11-9-22)28-13-15-29(16-14-28)24-6-2-12-30(19-24)26(31)21-5-1-4-20(18-21)25-7-3-17-32-25/h1,3-5,7-11,17-18,24H,2,6,12-16,19H2
InChIKeyPWMKISURJSQCLO-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.51
Rot. Bonds4

About [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone (PubChem CID 24817148) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone
PubChem CID24817148
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccco2)c1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C26H28FN3O2/c27-22-8-10-23(11-9-22)28-13-15-29(16-14-28)24-6-2-12-30(19-24)26(31)21-5-1-4-20(18-21)25-7-3-17-32-25/h1,3-5,7-11,17-18,24H,2,6,12-16,19H2
InChIKeyPWMKISURJSQCLO-UHFFFAOYSA-N
XLogP4.51
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone (CID 24817148) is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone is O=C(c1cccc(-c2ccco2)c1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone?
The InChIKey is PWMKISURJSQCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c27-22-8-10-23(11-9-22)28-13-15-29(16-14-28)24-6-2-12-30(19-24)26(31)21-5-1-4-20(18-21)25-7-3-17-32-25/h1,3-5,7-11,17-18,24H,2,6,12-16,19H2.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone has a molecular weight of 433.53 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[3-(furan-2-yl)phenyl]methanone is sourced from PubChem (CID 24817148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).