1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C28H27F3N2O2 — CID 75215965

IUPAC1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)C1c1ccccc1
InChIInChI=1S/C28H27F3N2O2/c1-18-9-6-10-19(2)24(18)27(35)33-16-8-15-23(25(33)20-11-4-3-5-12-20)26(34)32-22-14-7-13-21(17-22)28(29,30)31/h3-7,9-14,17,23,25H,8,15-16H2,1-2H3,(H,32,34)
InChIKeySWZLRYKZSVDSMZ-UHFFFAOYSA-N
MW480.53 g/mol
LogP6.55
Rot. Bonds4

About 1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 75215965) has the molecular formula C28H27F3N2O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID75215965
Molecular FormulaC28H27F3N2O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)C1c1ccccc1
InChIInChI=1S/C28H27F3N2O2/c1-18-9-6-10-19(2)24(18)27(35)33-16-8-15-23(25(33)20-11-4-3-5-12-20)26(34)32-22-14-7-13-21(17-22)28(29,30)31/h3-7,9-14,17,23,25H,8,15-16H2,1-2H3,(H,32,34)
InChIKeySWZLRYKZSVDSMZ-UHFFFAOYSA-N
XLogP6.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-1-(2-fluoro-6-methylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 59376161
(2R)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-phenylpiperidine-3-carboxamide
CID 149173476
(2R)-1-(2,6-dimethylbenzoyl)-N-[3-(2-methylpyrrolidin-1-yl)phenyl]-2-phenylpiperidine-3-carboxamide
CID 139317781
(2R)-1-(2-fluoro-6-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]-2-[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 139318020
(2R,3S)-2-[4-(cyclopentylamino)phenyl]-1-(2,6-dimethylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 70826704
(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 147838203
(2R)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 121382004
N-(3-tert-butylphenyl)-1-(5-chloro-3-methylpyridine-2-carbonyl)-2-phenylpiperidine-3-carboxamide
CID 46830995
(2R)-N-(3-tert-butylphenyl)-2-[4-[(cyclobutylamino)methyl]phenyl]-1-(2-fluoro-6-methylbenzoyl)piperidine-3-carboxamide
CID 138526895
(3S)-N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(3-hydroxypropyl)phenyl]piperidine-3-carboxamide
CID 139317788
N-(3-tert-butylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(3-hydroxycyclopentyl)amino]phenyl]piperidine-3-carboxamide
CID 70880770
(2R)-N-(3-tert-butylphenyl)-1-(2-methylbenzoyl)-2-[4-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]piperidine-3-carboxamide
CID 121382017

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 75215965) is 1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is Cc1cccc(C)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)C1c1ccccc1.
What is the InChIKey of 1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is SWZLRYKZSVDSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O2/c1-18-9-6-10-19(2)24(18)27(35)33-16-8-15-23(25(33)20-11-4-3-5-12-20)26(34)32-22-14-7-13-21(17-22)28(29,30)31/h3-7,9-14,17,23,25H,8,15-16H2,1-2H3,(H,32,34).
What are the key properties of 1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylbenzoyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 75215965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).