1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C23H25F3N2O2 — CID 39915165

IUPAC1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)(c2ccccc2)CC1
InChIInChI=1S/C23H25F3N2O2/c1-17(29)28-14-12-22(13-15-28,19-6-4-3-5-7-19)21(30)27(2)16-18-8-10-20(11-9-18)23(24,25)26/h3-11H,12-16H2,1-2H3
InChIKeyJRTABZNSRHQQGZ-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.24
Rot. Bonds4

About 1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 39915165) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID39915165
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)(c2ccccc2)CC1
InChIInChI=1S/C23H25F3N2O2/c1-17(29)28-14-12-22(13-15-28,19-6-4-3-5-7-19)21(30)27(2)16-18-8-10-20(11-9-18)23(24,25)26/h3-11H,12-16H2,1-2H3
InChIKeyJRTABZNSRHQQGZ-UHFFFAOYSA-N
XLogP4.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55521666
1-ethylsulfonyl-N-methyl-N-[(4-methylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 78816373
N-[(4-bromophenyl)methyl]-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 55429305
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 90694637
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 115448413
1-[3-(4-fluorophenyl)propanoyl]-N-methyl-4-phenyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 23600333
1-ethylsulfonyl-N-[(2-fluorophenyl)methyl]-N-methyl-4-phenylpiperidine-4-carboxamide
CID 78816390
N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39909967
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 134028500
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 131948127

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 39915165) is 1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is JRTABZNSRHQQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c1-17(29)28-14-12-22(13-15-28,19-6-4-3-5-7-19)21(30)27(2)16-18-8-10-20(11-9-18)23(24,25)26/h3-11H,12-16H2,1-2H3.
What are the key properties of 1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 39915165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).