[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone

C20H24FN3OS — CID 24819505

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H24FN3OS/c21-16-5-7-17(8-6-16)22-10-12-23(13-11-22)18-3-1-9-24(15-18)20(25)19-4-2-14-26-19/h2,4-8,14,18H,1,3,9-13,15H2
InChIKeyRYRZUYZSAGQLAJ-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.31
Rot. Bonds3

About [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 24819505) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID24819505
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H24FN3OS/c21-16-5-7-17(8-6-16)22-10-12-23(13-11-22)18-3-1-9-24(15-18)20(25)19-4-2-14-26-19/h2,4-8,14,18H,1,3,9-13,15H2
InChIKeyRYRZUYZSAGQLAJ-UHFFFAOYSA-N
XLogP3.31
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.31
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]-thiophen-2-ylmethanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 24819505) is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is RYRZUYZSAGQLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c21-16-5-7-17(8-6-16)22-10-12-23(13-11-22)18-3-1-9-24(15-18)20(25)19-4-2-14-26-19/h2,4-8,14,18H,1,3,9-13,15H2.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 373.50 g/mol, XLogP of 3.31, 3 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]-thiophen-2-ylmethanone is sourced from PubChem (CID 24819505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).