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

C25H27FN2OS — CID 134796337

IUPACN-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C25H27FN2OS/c26-22-12-8-19(9-13-22)14-15-27-25(29)23-4-1-2-16-28(23)18-20-6-10-21(11-7-20)24-5-3-17-30-24/h3,5-13,17,23H,1-2,4,14-16,18H2,(H,27,29)
InChIKeyCVHGWGHBBFTNRI-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.27
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134796337) has the molecular formula C25H27FN2OS and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134796337
Molecular FormulaC25H27FN2OS
Molecular Weight422.57 g/mol
Exact Mass422.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C25H27FN2OS/c26-22-12-8-19(9-13-22)14-15-27-25(29)23-4-1-2-16-28(23)18-20-6-10-21(11-7-20)24-5-3-17-30-24/h3,5-13,17,23H,1-2,4,14-16,18H2,(H,27,29)
InChIKeyCVHGWGHBBFTNRI-UHFFFAOYSA-N
XLogP5.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (CID 134796337) is N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is O=C(NCCc1ccc(F)cc1)C1CCCCN1Cc1ccc(-c2cccs2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is CVHGWGHBBFTNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2OS/c26-22-12-8-19(9-13-22)14-15-27-25(29)23-4-1-2-16-28(23)18-20-6-10-21(11-7-20)24-5-3-17-30-24/h3,5-13,17,23H,1-2,4,14-16,18H2,(H,27,29).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134796337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).