1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide

C24H28F2N2O2 — CID 134803839

IUPAC1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1
InChIInChI=1S/C24H28F2N2O2/c25-20-6-7-22(23(26)14-20)18-4-1-3-17(13-18)15-28-10-2-5-19(16-28)24(29)27-21-8-11-30-12-9-21/h1,3-4,6-7,13-14,19,21H,2,5,8-12,15-16H2,(H,27,29)
InChIKeyVQAADEFBCWAYSW-UHFFFAOYSA-N
MW414.50 g/mol
LogP4.14
Rot. Bonds5

About 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide

1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 134803839) has the molecular formula C24H28F2N2O2 and a molecular weight of 414.50 g/mol. Its IUPAC name is 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID134803839
Molecular FormulaC24H28F2N2O2
Molecular Weight414.50 g/mol
Exact Mass414.21
IUPAC Name1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1
InChIInChI=1S/C24H28F2N2O2/c25-20-6-7-22(23(26)14-20)18-4-1-3-17(13-18)15-28-10-2-5-19(16-28)24(29)27-21-8-11-30-12-9-21/h1,3-4,6-7,13-14,19,21H,2,5,8-12,15-16H2,(H,27,29)
InChIKeyVQAADEFBCWAYSW-UHFFFAOYSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190619
(3R,4S)-N-cyclopropyl-N-[[3-(3-methoxypropyl)-5-phenylphenyl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 56683889
N-cyclohexyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24791142
N-(3-fluorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24816630
6-oxo-N-(tetrahydro-2H-pyran-4-ylmethyl)-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24819450
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]-N-piperidin-4-ylpropanamide
CID 44322515
(4S,5S)-5-(aminomethyl)-1-benzyl-4-(2,5-difluorophenyl)piperidin-2-one
CID 90654724
US20230348424, Example 41
CID 169127003
2-{3-oxo-1-[3-(trifluoromethyl)benzyl]-2-piperazinyl}-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 24791471
N-(oxan-4-yl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24794041
N-(2,6-difluoro-3-methylbenzyl)-1-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817107
N-[(3-methylphenyl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 45243025

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide (CID 134803839) is 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide is O=C(NC1CCOCC1)C1CCCN(Cc2cccc(-c3ccc(F)cc3F)c2)C1.
What is the InChIKey of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is VQAADEFBCWAYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O2/c25-20-6-7-22(23(26)14-20)18-4-1-3-17(13-18)15-28-10-2-5-19(16-28)24(29)27-21-8-11-30-12-9-21/h1,3-4,6-7,13-14,19,21H,2,5,8-12,15-16H2,(H,27,29).
What are the key properties of 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide?
1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 414.50 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,4-difluorophenyl)phenyl]methyl]-N-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 134803839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).