N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide

C24H23FN2O2S — CID 134801632

IUPACN-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C24H23FN2O2S/c25-21-4-1-3-17(15-21)16-26-23(28)19-10-12-27(13-11-19)24(29)20-8-6-18(7-9-20)22-5-2-14-30-22/h1-9,14-15,19H,10-13,16H2,(H,26,28)
InChIKeyLOWLNAUMTMWIGH-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.72
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide

N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide (PubChem CID 134801632) has the molecular formula C24H23FN2O2S and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
PubChem CID134801632
Molecular FormulaC24H23FN2O2S
Molecular Weight422.53 g/mol
Exact Mass422.15
IUPAC NameN-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccc(F)c1)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C24H23FN2O2S/c25-21-4-1-3-17(15-21)16-26-23(28)19-10-12-27(13-11-19)24(29)20-8-6-18(7-9-20)22-5-2-14-30-22/h1-9,14-15,19H,10-13,16H2,(H,26,28)
InChIKeyLOWLNAUMTMWIGH-UHFFFAOYSA-N
XLogP4.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-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 N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide (CID 134801632) is N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide is O=C(NCc1cccc(F)c1)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The InChIKey is LOWLNAUMTMWIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2S/c25-21-4-1-3-17(15-21)16-26-23(28)19-10-12-27(13-11-19)24(29)20-8-6-18(7-9-20)22-5-2-14-30-22/h1-9,14-15,19H,10-13,16H2,(H,26,28).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 134801632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).