4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide

C23H23FN4O3S — CID 145485945

IUPAC4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NCc1cscn1)c1cccc(NC(=O)N2CCC(Oc3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H23FN4O3S/c24-17-4-2-6-21(12-17)31-20-7-9-28(10-8-20)23(30)27-18-5-1-3-16(11-18)22(29)25-13-19-14-32-15-26-19/h1-6,11-12,14-15,20H,7-10,13H2,(H,25,29)(H,27,30)
InChIKeyYOWXPNSECCXQDI-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.29
Rot. Bonds6

About 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide

4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 145485945) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID145485945
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC Name4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESO=C(NCc1cscn1)c1cccc(NC(=O)N2CCC(Oc3cccc(F)c3)CC2)c1
InChIInChI=1S/C23H23FN4O3S/c24-17-4-2-6-21(12-17)31-20-7-9-28(10-8-20)23(30)27-18-5-1-3-16(11-18)22(29)25-13-19-14-32-15-26-19/h1-6,11-12,14-15,20H,7-10,13H2,(H,25,29)(H,27,30)
InChIKeyYOWXPNSECCXQDI-UHFFFAOYSA-N
XLogP4.29
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide 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 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 145485945) is 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide is O=C(NCc1cscn1)c1cccc(NC(=O)N2CCC(Oc3cccc(F)c3)CC2)c1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is YOWXPNSECCXQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c24-17-4-2-6-21(12-17)31-20-7-9-28(10-8-20)23(30)27-18-5-1-3-16(11-18)22(29)25-13-19-14-32-15-26-19/h1-6,11-12,14-15,20H,7-10,13H2,(H,25,29)(H,27,30).
What are the key properties of 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide?
4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-[3-(1,3-thiazol-4-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 145485945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).