[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C19H23FN4OS — CID 24790331

IUPAC[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H23FN4OS/c20-15-3-5-16(6-4-15)22-8-10-23(11-9-22)17-2-1-7-24(12-17)19(25)18-13-26-14-21-18/h3-6,13-14,17H,1-2,7-12H2
InChIKeyDFMZEQSCAISEKN-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.71
Rot. Bonds3

About [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 24790331) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID24790331
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC Name[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C19H23FN4OS/c20-15-3-5-16(6-4-15)22-8-10-23(11-9-22)17-2-1-7-24(12-17)19(25)18-13-26-14-21-18/h3-6,13-14,17H,1-2,7-12H2
InChIKeyDFMZEQSCAISEKN-UHFFFAOYSA-N
XLogP2.71
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 24790331) is [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is DFMZEQSCAISEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4OS/c20-15-3-5-16(6-4-15)22-8-10-23(11-9-22)17-2-1-7-24(12-17)19(25)18-13-26-14-21-18/h3-6,13-14,17H,1-2,7-12H2.
What are the key properties of [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 24790331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).