N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide

C25H32F3N3O4 — CID 45184431

IUPACN,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)CC2(c3cccc(C(F)(F)F)c3)CC(=O)N(CC)C2=O)CC1
InChIInChI=1S/C25H32F3N3O4/c1-4-29(5-2)22(34)17-10-12-30(13-11-17)20(32)15-24(16-21(33)31(6-3)23(24)35)18-8-7-9-19(14-18)25(26,27)28/h7-9,14,17H,4-6,10-13,15-16H2,1-3H3
InChIKeyYBURDMCTQPREKH-UHFFFAOYSA-N
MW495.54 g/mol
LogP3.22
Rot. Bonds7

About N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide

N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide (PubChem CID 45184431) has the molecular formula C25H32F3N3O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
PubChem CID45184431
Molecular FormulaC25H32F3N3O4
Molecular Weight495.54 g/mol
Exact Mass495.23
IUPAC NameN,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)CC2(c3cccc(C(F)(F)F)c3)CC(=O)N(CC)C2=O)CC1
InChIInChI=1S/C25H32F3N3O4/c1-4-29(5-2)22(34)17-10-12-30(13-11-17)20(32)15-24(16-21(33)31(6-3)23(24)35)18-8-7-9-19(14-18)25(26,27)28/h7-9,14,17H,4-6,10-13,15-16H2,1-3H3
InChIKeyYBURDMCTQPREKH-UHFFFAOYSA-N
XLogP3.22
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-N,N-diethyl-1-[2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-3-carboxamide
CID 26277605
(3S)-1-ethyl-3-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 31016481
(3R)-1-ethyl-3-[2-oxo-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 31016483
(3S)-3-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-1-ethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42210715
N,N-diethyl-1-[2-[1-methyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide
CID 45202246
1-[2-[(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-N,N-diethylpiperidine-4-carboxamide
CID 42383240
2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-(2-pyrazolidin-4-ylethyl)acetamide
CID 74793256
ethyl 4-[2-[(3S)-1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 26342803
ethyl 4-[2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45209109
N-(cyclobutylmethyl)-2-[(3R)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42213749
2-[(3S)-1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]acetamide
CID 42479669
(3S)-1-cyclopropyl-3-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42169373

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide (CID 45184431) is N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(C(=O)CC2(c3cccc(C(F)(F)F)c3)CC(=O)N(CC)C2=O)CC1.
What is the InChIKey of N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is YBURDMCTQPREKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O4/c1-4-29(5-2)22(34)17-10-12-30(13-11-17)20(32)15-24(16-21(33)31(6-3)23(24)35)18-8-7-9-19(14-18)25(26,27)28/h7-9,14,17H,4-6,10-13,15-16H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide?
N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-[1-ethyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 45184431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).