1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

C17H22F3N3O2 — CID 70760706

IUPAC1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(CC(N)=O)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3N3O2/c1-11(13-4-2-3-5-14(13)17(18,19)20)22-16(25)12-6-8-23(9-7-12)10-15(21)24/h2-5,11-12H,6-10H2,1H3,(H2,21,24)(H,22,25)
InChIKeyZUMQMSDFGAGOGS-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.08
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 70760706) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID70760706
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(CC(N)=O)CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H22F3N3O2/c1-11(13-4-2-3-5-14(13)17(18,19)20)22-16(25)12-6-8-23(9-7-12)10-15(21)24/h2-5,11-12H,6-10H2,1H3,(H2,21,24)(H,22,25)
InChIKeyZUMQMSDFGAGOGS-UHFFFAOYSA-N
XLogP2.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[(1S)-1-(4-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 97134473
(2R)-2-[[1-(2-amino-2-oxoethyl)piperidine-4-carbonyl]amino]-2-(2-fluorophenyl)acetic acid
CID 97282994
1-[1-(2-hydroxyethyl)piperidin-4-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167747797
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
1-prop-2-ynyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 51091244
methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 95140162
1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 52538350
1-benzyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 47072278
1-(2,2-dimethylpropanoyl)-N-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 46809447
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072355

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide (CID 70760706) is 1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(CC(N)=O)CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is ZUMQMSDFGAGOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-11(13-4-2-3-5-14(13)17(18,19)20)22-16(25)12-6-8-23(9-7-12)10-15(21)24/h2-5,11-12H,6-10H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70760706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).