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

C25H31FN2O2 — CID 110082392

IUPAC1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)N(C)C)CC1
InChIInChI=1S/C25H31FN2O2/c1-4-7-23(29)28-16-14-25(15-17-28,24(30)27(2)3)18-19-10-12-20(13-11-19)21-8-5-6-9-22(21)26/h5-6,8-13H,4,7,14-18H2,1-3H3
InChIKeyKTOXKJKQMFYOJJ-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.53
Rot. Bonds6

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

1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 110082392) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID110082392
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)N(C)C)CC1
InChIInChI=1S/C25H31FN2O2/c1-4-7-23(29)28-16-14-25(15-17-28,24(30)27(2)3)18-19-10-12-20(13-11-19)21-8-5-6-9-22(21)26/h5-6,8-13H,4,7,14-18H2,1-3H3
InChIKeyKTOXKJKQMFYOJJ-UHFFFAOYSA-N
XLogP4.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 110230993
4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 155982895
N,N-dimethyl-1-(3-methylbutanoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 95805699
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92604986
4-[[4-(2-fluorophenyl)phenyl]methyl]-N-methyl-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 92620773
1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 110231473
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethyl-1-(pyrazine-2-carbonyl)piperidine-3-carboxamide
CID 92605039
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585108
1-butanoyl-3-[[2-(2-fluorophenyl)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 110230982
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

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide (CID 110082392) is 1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide is CCCC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)N(C)C)CC1.
What is the InChIKey of 1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is KTOXKJKQMFYOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-4-7-23(29)28-16-14-25(15-17-28,24(30)27(2)3)18-19-10-12-20(13-11-19)21-8-5-6-9-22(21)26/h5-6,8-13H,4,7,14-18H2,1-3H3.
What are the key properties of 1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide?
1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 410.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-4-[[4-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 110082392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).