N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide

C24H24F2N2OS — CID 134796794

IUPACN-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)C1CCCCN1Cc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C24H24F2N2OS/c25-21-9-8-19(22(26)13-21)14-27-24(29)23-3-1-2-11-28(23)15-17-4-6-18(7-5-17)20-10-12-30-16-20/h4-10,12-13,16,23H,1-3,11,14-15H2,(H,27,29)
InChIKeyLLWXMROFCMMVEW-UHFFFAOYSA-N
MW426.53 g/mol
LogP5.36
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134796794) has the molecular formula C24H24F2N2OS and a molecular weight of 426.53 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134796794
Molecular FormulaC24H24F2N2OS
Molecular Weight426.53 g/mol
Exact Mass426.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)C1CCCCN1Cc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C24H24F2N2OS/c25-21-9-8-19(22(26)13-21)14-27-24(29)23-3-1-2-11-28(23)15-17-4-6-18(7-5-17)20-10-12-30-16-20/h4-10,12-13,16,23H,1-3,11,14-15H2,(H,27,29)
InChIKeyLLWXMROFCMMVEW-UHFFFAOYSA-N
XLogP5.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide (CID 134796794) is N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide is O=C(NCc1ccc(F)cc1F)C1CCCCN1Cc1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is LLWXMROFCMMVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2OS/c25-21-9-8-19(22(26)13-21)14-27-24(29)23-3-1-2-11-28(23)15-17-4-6-18(7-5-17)20-10-12-30-16-20/h4-10,12-13,16,23H,1-3,11,14-15H2,(H,27,29).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134796794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).