N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

C22H25F3N2O — CID 46087085

IUPACN-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(CCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H25F3N2O/c1-16-4-2-3-5-20(16)26-21(28)27-14-12-18(13-15-27)7-6-17-8-10-19(11-9-17)22(23,24)25/h2-5,8-11,18H,6-7,12-15H2,1H3,(H,26,28)
InChIKeyTYKURCVKXZMJBV-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.89
Rot. Bonds4

About N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 46087085) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID46087085
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCC(CCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H25F3N2O/c1-16-4-2-3-5-20(16)26-21(28)27-14-12-18(13-15-27)7-6-17-8-10-19(11-9-17)22(23,24)25/h2-5,8-11,18H,6-7,12-15H2,1H3,(H,26,28)
InChIKeyTYKURCVKXZMJBV-UHFFFAOYSA-N
XLogP5.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 24898133
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CID 4064342
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CID 3404984
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CID 4996665
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CID 24768228
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CID 46831055
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CID 10114686
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CID 10204151
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CID 738916
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (CID 46087085) is N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC(CCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is TYKURCVKXZMJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c1-16-4-2-3-5-20(16)26-21(28)27-14-12-18(13-15-27)7-6-17-8-10-19(11-9-17)22(23,24)25/h2-5,8-11,18H,6-7,12-15H2,1H3,(H,26,28).
What are the key properties of N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46087085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).