N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

C25H28F3N3O2 — CID 55754058

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C25H28F3N3O2/c1-17-5-2-3-6-18(17)15-30-11-9-21(10-12-30)29-24(33)19-13-23(32)31(16-19)22-8-4-7-20(14-22)25(26,27)28/h2-8,14,19,21H,9-13,15-16H2,1H3,(H,29,33)
InChIKeyOGNMTZQUEAIIFZ-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.15
Rot. Bonds5

About N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (PubChem CID 55754058) has the molecular formula C25H28F3N3O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
PubChem CID55754058
Molecular FormulaC25H28F3N3O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C25H28F3N3O2/c1-17-5-2-3-6-18(17)15-30-11-9-21(10-12-30)29-24(33)19-13-23(32)31(16-19)22-8-4-7-20(14-22)25(26,27)28/h2-8,14,19,21H,9-13,15-16H2,1H3,(H,29,33)
InChIKeyOGNMTZQUEAIIFZ-UHFFFAOYSA-N
XLogP4.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 55866339
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
(3R)-1-(3-ethylphenyl)-N-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 30787471
N-(3-chloro-4-methylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188658
5-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55652394
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78901883
N-(2,3-dihydro-1-benzofuran-3-yl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 71935425
1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 46589177
N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46806850
N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321736
N-[1-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655263

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide (CID 55754058) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is Cc1ccccc1CN1CCC(NC(=O)C2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is OGNMTZQUEAIIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O2/c1-17-5-2-3-6-18(17)15-30-11-9-21(10-12-30)29-24(33)19-13-23(32)31(16-19)22-8-4-7-20(14-22)25(26,27)28/h2-8,14,19,21H,9-13,15-16H2,1H3,(H,29,33).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55754058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).