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

C19H22F2N2OS — CID 134800473

IUPACN-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCC(F)F)C1CCCCN1Cc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C19H22F2N2OS/c20-18(21)11-22-19(24)17-3-1-2-9-23(17)12-14-4-6-15(7-5-14)16-8-10-25-13-16/h4-8,10,13,17-18H,1-3,9,11-12H2,(H,22,24)
InChIKeyOFOAVOHJVWTQIT-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.15
Rot. Bonds6

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

N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134800473) has the molecular formula C19H22F2N2OS and a molecular weight of 364.46 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134800473
Molecular FormulaC19H22F2N2OS
Molecular Weight364.46 g/mol
Exact Mass364.14
IUPAC NameN-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCC(F)F)C1CCCCN1Cc1ccc(-c2ccsc2)cc1
InChIInChI=1S/C19H22F2N2OS/c20-18(21)11-22-19(24)17-3-1-2-9-23(17)12-14-4-6-15(7-5-14)16-8-10-25-13-16/h4-8,10,13,17-18H,1-3,9,11-12H2,(H,22,24)
InChIKeyOFOAVOHJVWTQIT-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide (CID 134800473) is N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide is O=C(NCC(F)F)C1CCCCN1Cc1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is OFOAVOHJVWTQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2OS/c20-18(21)11-22-19(24)17-3-1-2-9-23(17)12-14-4-6-15(7-5-14)16-8-10-25-13-16/h4-8,10,13,17-18H,1-3,9,11-12H2,(H,22,24).
What are the key properties of N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide?
N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 364.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134800473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).