4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide

C24H29FN2O2 — CID 92620773

IUPAC4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C24H29FN2O2/c1-17(2)22(28)27-14-12-24(13-15-27,23(29)26-3)16-18-8-10-19(11-9-18)20-6-4-5-7-21(20)25/h4-11,17H,12-16H2,1-3H3,(H,26,29)
InChIKeyNYDAKTHCAWNXSN-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.05
Rot. Bonds5

About 4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide

4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 92620773) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID92620773
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C24H29FN2O2/c1-17(2)22(28)27-14-12-24(13-15-27,23(29)26-3)16-18-8-10-19(11-9-18)20-6-4-5-7-21(20)25/h4-11,17H,12-16H2,1-3H3,(H,26,29)
InChIKeyNYDAKTHCAWNXSN-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 95805713
1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110082405
N-methyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620700
4-[[4-(2-fluorophenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 95805736
3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N-methylpiperidine-3-carboxamide
CID 110232546
N-methyl-1-(2-phenylacetyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982862
(3R)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxypropanoyl)-N-methylpiperidine-3-carboxamide
CID 92609375
1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110082392
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 110230982
N-ethyl-1-(2-methylpropanoyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110084047
4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 155982895
N,N-dimethyl-1-(2-methylpropanoyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110083632

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of 4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 92620773) is 4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for 4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide is CNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is NYDAKTHCAWNXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-17(2)22(28)27-14-12-24(13-15-27,23(29)26-3)16-18-8-10-19(11-9-18)20-6-4-5-7-21(20)25/h4-11,17H,12-16H2,1-3H3,(H,26,29).
What are the key properties of 4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide?
4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 92620773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).