N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C25H26F3N3O3 — CID 42153498

IUPACN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1N1CCCC1=O
InChIInChI=1S/C25H26F3N3O3/c1-16-15-20(8-9-21(16)31-12-2-3-22(31)32)29-23(33)17-10-13-30(14-11-17)24(34)18-4-6-19(7-5-18)25(26,27)28/h4-9,15,17H,2-3,10-14H2,1H3,(H,29,33)
InChIKeyUEMKJPRQZAZJKH-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.63
Rot. Bonds4

About N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 42153498) has the molecular formula C25H26F3N3O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID42153498
Molecular FormulaC25H26F3N3O3
Molecular Weight473.50 g/mol
Exact Mass473.19
IUPAC NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1N1CCCC1=O
InChIInChI=1S/C25H26F3N3O3/c1-16-15-20(8-9-21(16)31-12-2-3-22(31)32)29-23(33)17-10-13-30(14-11-17)24(34)18-4-6-19(7-5-18)25(26,27)28/h4-9,15,17H,2-3,10-14H2,1H3,(H,29,33)
InChIKeyUEMKJPRQZAZJKH-UHFFFAOYSA-N
XLogP4.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
N-[4-(dimethylamino)-3-methylphenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55652632
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
dimethyl 5-[[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26015500
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 51982092
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
tert-butyl 3-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42932758
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 42153498) is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is UEMKJPRQZAZJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3/c1-16-15-20(8-9-21(16)31-12-2-3-22(31)32)29-23(33)17-10-13-30(14-11-17)24(34)18-4-6-19(7-5-18)25(26,27)28/h4-9,15,17H,2-3,10-14H2,1H3,(H,29,33).
What are the key properties of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 42153498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).