N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C28H27F3N2O3 — CID 134012078

IUPACN-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C28H27F3N2O3/c1-36-25-13-11-24(12-14-25)33(19-20-5-3-2-4-6-20)27(35)22-15-17-32(18-16-22)26(34)21-7-9-23(10-8-21)28(29,30)31/h2-14,22H,15-19H2,1H3
InChIKeyBWKOYXUCASXPMH-UHFFFAOYSA-N
MW496.53 g/mol
LogP5.80
Rot. Bonds6

About N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 134012078) has the molecular formula C28H27F3N2O3 and a molecular weight of 496.53 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID134012078
Molecular FormulaC28H27F3N2O3
Molecular Weight496.53 g/mol
Exact Mass496.20
IUPAC NameN-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C28H27F3N2O3/c1-36-25-13-11-24(12-14-25)33(19-20-5-3-2-4-6-20)27(35)22-15-17-32(18-16-22)26(34)21-7-9-23(10-8-21)28(29,30)31/h2-14,22H,15-19H2,1H3
InChIKeyBWKOYXUCASXPMH-UHFFFAOYSA-N
XLogP5.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 134012078) is N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is COc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is BWKOYXUCASXPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O3/c1-36-25-13-11-24(12-14-25)33(19-20-5-3-2-4-6-20)27(35)22-15-17-32(18-16-22)26(34)21-7-9-23(10-8-21)28(29,30)31/h2-14,22H,15-19H2,1H3.
What are the key properties of N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 496.53 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 134012078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).