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

C24H24F2N2OS — CID 134795997

IUPACN-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCCN(Cc2cccc(-c3cccs3)c2)C1
InChIInChI=1S/C24H24F2N2OS/c25-21-9-8-17(13-22(21)26)14-27-24(29)20-6-2-10-28(16-20)15-18-4-1-5-19(12-18)23-7-3-11-30-23/h1,3-5,7-9,11-13,20H,2,6,10,14-16H2,(H,27,29)
InChIKeySXJBDGREFYRVKQ-UHFFFAOYSA-N
MW426.53 g/mol
LogP5.22
Rot. Bonds6

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

N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 134795997) has the molecular formula C24H24F2N2OS and a molecular weight of 426.53 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID134795997
Molecular FormulaC24H24F2N2OS
Molecular Weight426.53 g/mol
Exact Mass426.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCCN(Cc2cccc(-c3cccs3)c2)C1
InChIInChI=1S/C24H24F2N2OS/c25-21-9-8-17(13-22(21)26)14-27-24(29)20-6-2-10-28(16-20)15-18-4-1-5-19(12-18)23-7-3-11-30-23/h1,3-5,7-9,11-13,20H,2,6,10,14-16H2,(H,27,29)
InChIKeySXJBDGREFYRVKQ-UHFFFAOYSA-N
XLogP5.22
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 ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-thiophen-2-ylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134797395
N-[(4-methoxyphenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 134799941
1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 134801935
N-[(3,4-difluorophenyl)methyl]-1-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 118348853
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
(3R)-1-[(4-fluorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 94022035
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917427
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
N-[(3-chlorophenyl)methyl]-1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 134796270

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide (CID 134795997) is N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccc(F)c(F)c1)C1CCCN(Cc2cccc(-c3cccs3)c2)C1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is SXJBDGREFYRVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2OS/c25-21-9-8-17(13-22(21)26)14-27-24(29)20-6-2-10-28(16-20)15-18-4-1-5-19(12-18)23-7-3-11-30-23/h1,3-5,7-9,11-13,20H,2,6,10,14-16H2,(H,27,29).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 134795997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).