1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide

C24H27F3N4O3 — CID 55708388

IUPAC1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1=O
InChIInChI=1S/C24H27F3N4O3/c1-2-34-20-6-4-3-5-19(20)31-15-16(13-22(31)32)23(33)29-18-9-11-30(12-10-18)21-8-7-17(14-28-21)24(25,26)27/h3-8,14,16,18H,2,9-13,15H2,1H3,(H,29,33)
InChIKeySUEUCZUSOUKDDA-UHFFFAOYSA-N
MW476.50 g/mol
LogP3.64
Rot. Bonds6

About 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide

1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 55708388) has the molecular formula C24H27F3N4O3 and a molecular weight of 476.50 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID55708388
Molecular FormulaC24H27F3N4O3
Molecular Weight476.50 g/mol
Exact Mass476.20
IUPAC Name1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1CC(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1=O
InChIInChI=1S/C24H27F3N4O3/c1-2-34-20-6-4-3-5-19(20)31-15-16(13-22(31)32)23(33)29-18-9-11-30(12-10-18)21-8-7-17(14-28-21)24(25,26)27/h3-8,14,16,18H,2,9-13,15H2,1H3,(H,29,33)
InChIKeySUEUCZUSOUKDDA-UHFFFAOYSA-N
XLogP3.64
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119426905
1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 55945187
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 31203885
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55709901
N-cyclopentyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188245
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(benzenesulfonyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55721130
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide (CID 55708388) is 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide is CCOc1ccccc1N1CC(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is SUEUCZUSOUKDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O3/c1-2-34-20-6-4-3-5-19(20)31-15-16(13-22(31)32)23(33)29-18-9-11-30(12-10-18)21-8-7-17(14-28-21)24(25,26)27/h3-8,14,16,18H,2,9-13,15H2,1H3,(H,29,33).
What are the key properties of 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide?
1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 476.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-oxo-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55708388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).