1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide

C27H35FN2O2 — CID 155982795

IUPAC1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)N(C)C)CC1
InChIInChI=1S/C27H35FN2O2/c1-5-20(6-2)25(31)30-16-14-27(15-17-30,26(32)29(3)4)19-22-10-7-8-13-24(22)21-11-9-12-23(28)18-21/h7-13,18,20H,5-6,14-17,19H2,1-4H3
InChIKeyONDLPGHZWVYMIF-UHFFFAOYSA-N
MW438.59 g/mol
LogP5.17
Rot. Bonds7

About 1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide

1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 155982795) has the molecular formula C27H35FN2O2 and a molecular weight of 438.59 g/mol. Its IUPAC name is 1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID155982795
Molecular FormulaC27H35FN2O2
Molecular Weight438.59 g/mol
Exact Mass438.27
IUPAC Name1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)N(C)C)CC1
InChIInChI=1S/C27H35FN2O2/c1-5-20(6-2)25(31)30-16-14-27(15-17-30,26(32)29(3)4)19-22-10-7-8-13-24(22)21-11-9-12-23(28)18-21/h7-13,18,20H,5-6,14-17,19H2,1-4H3
InChIKeyONDLPGHZWVYMIF-UHFFFAOYSA-N
XLogP5.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-(2-methylpropanoyl)-4-[(2-phenylphenyl)methyl]piperidine-4-carboxamide
CID 110083632
1-(cyclohex-3-ene-1-carbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155982797
N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620707
(3S)-1-(3-fluorobenzoyl)-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 92605392
1-(cyclopropanecarbonyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155982803
1-(2-ethylbutanoyl)-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 110083663
4-[[2-(3-fluorophenyl)phenyl]methyl]-1-(2-methylcyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
CID 132779067
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 110230993
1-(cyclobutanecarbonyl)-N,N-dimethyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110230861
N,N-dimethyl-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 124994587
1-(2-cyclopent-2-en-1-ylacetyl)-N-ethyl-4-[[2-(3-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 155982799
3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 110230994

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide (CID 155982795) is 1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide is CCC(CC)C(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)N(C)C)CC1.
What is the InChIKey of 1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is ONDLPGHZWVYMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2O2/c1-5-20(6-2)25(31)30-16-14-27(15-17-30,26(32)29(3)4)19-22-10-7-8-13-24(22)21-11-9-12-23(28)18-21/h7-13,18,20H,5-6,14-17,19H2,1-4H3.
What are the key properties of 1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 438.59 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutanoyl)-4-[[2-(3-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 155982795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).