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

C24H23FN2O2S — CID 134801233

IUPACN-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C24H23FN2O2S/c25-21-9-3-17(4-10-21)16-26-23(28)19-11-13-27(14-12-19)24(29)20-7-5-18(6-8-20)22-2-1-15-30-22/h1-10,15,19H,11-14,16H2,(H,26,28)
InChIKeyVVBQBGJQFSOHOL-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.72
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide (PubChem CID 134801233) has the molecular formula C24H23FN2O2S and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
PubChem CID134801233
Molecular FormulaC24H23FN2O2S
Molecular Weight422.53 g/mol
Exact Mass422.15
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1
InChIInChI=1S/C24H23FN2O2S/c25-21-9-3-17(4-10-21)16-26-23(28)19-11-13-27(14-12-19)24(29)20-7-5-18(6-8-20)22-2-1-15-30-22/h1-10,15,19H,11-14,16H2,(H,26,28)
InChIKeyVVBQBGJQFSOHOL-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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide (CID 134801233) is N-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(C(=O)c2ccc(-c3cccs3)cc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
The InChIKey is VVBQBGJQFSOHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2S/c25-21-9-3-17(4-10-21)16-26-23(28)19-11-13-27(14-12-19)24(29)20-7-5-18(6-8-20)22-2-1-15-30-22/h1-10,15,19H,11-14,16H2,(H,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide?
N-[(4-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-[(4-fluorophenyl)methyl]-1-(4-thiophen-2-ylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 134801233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).