3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C23H33F3N4O2 — CID 73139388

IUPAC3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CCC1CC(=O)NCCN1CCCC1
InChIInChI=1S/C23H33F3N4O2/c1-2-17-16-30(22(32)28-20-7-5-6-19(15-20)23(24,25)26)12-8-18(17)14-21(31)27-9-13-29-10-3-4-11-29/h5-7,15,17-18H,2-4,8-14,16H2,1H3,(H,27,31)(H,28,32)
InChIKeyPFTBBPAOXHXKMZ-UHFFFAOYSA-N
MW454.54 g/mol
LogP4.19
Rot. Bonds7

About 3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 73139388) has the molecular formula C23H33F3N4O2 and a molecular weight of 454.54 g/mol. Its IUPAC name is 3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID73139388
Molecular FormulaC23H33F3N4O2
Molecular Weight454.54 g/mol
Exact Mass454.26
IUPAC Name3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCCC1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CCC1CC(=O)NCCN1CCCC1
InChIInChI=1S/C23H33F3N4O2/c1-2-17-16-30(22(32)28-20-7-5-6-19(15-20)23(24,25)26)12-8-18(17)14-21(31)27-9-13-29-10-3-4-11-29/h5-7,15,17-18H,2-4,8-14,16H2,1H3,(H,27,31)(H,28,32)
InChIKeyPFTBBPAOXHXKMZ-UHFFFAOYSA-N
XLogP4.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162904175
4-[2-(cyclopropylamino)-2-oxoethyl]-3-ethyl-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 73139265
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 11941189
ethyl 3-[[4-[2-(2-acetamidoethylamino)-2-oxoethyl]-3-ethylpiperidine-1-carbonyl]amino]benzoate
CID 73147860
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
3-(methylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 62536564
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
1-N-[3-(trifluoromethyl)phenyl]piperidine-1,3-dicarboxamide
CID 5297464
3-acetamido-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 72862706
ethyl 3-[[(3S,4S)-4-[2-(benzylamino)-2-oxoethyl]-3-ethylpiperidine-1-carbonyl]amino]benzoate
CID 163064560

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 73139388) is 3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is CCC1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CCC1CC(=O)NCCN1CCCC1.
What is the InChIKey of 3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is PFTBBPAOXHXKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N4O2/c1-2-17-16-30(22(32)28-20-7-5-6-19(15-20)23(24,25)26)12-8-18(17)14-21(31)27-9-13-29-10-3-4-11-29/h5-7,15,17-18H,2-4,8-14,16H2,1H3,(H,27,31)(H,28,32).
What are the key properties of 3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 454.54 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 73139388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).