(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

C17H22F3N3O2 — CID 97146004

IUPAC(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCC[C@H](C(=O)NCCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)14-6-2-1-4-12(14)7-8-22-16(25)13-5-3-9-23(10-13)11-15(21)24/h1-2,4,6,13H,3,5,7-11H2,(H2,21,24)(H,22,25)/t13-/m0/s1
InChIKeyMIDHZCBUDFHBQF-ZDUSSCGKSA-N
MW357.38 g/mol
LogP1.56
Rot. Bonds6

About (3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 97146004) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is (3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID97146004
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESNC(=O)CN1CCC[C@H](C(=O)NCCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)14-6-2-1-4-12(14)7-8-22-16(25)13-5-3-9-23(10-13)11-15(21)24/h1-2,4,6,13H,3,5,7-11H2,(H2,21,24)(H,22,25)/t13-/m0/s1
InChIKeyMIDHZCBUDFHBQF-ZDUSSCGKSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-amino-2-oxoethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]piperidine-3-carboxamide
CID 97139794
3-[(carbamoylamino)methyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 166185990
1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
CID 46998796
2-[2-[2-(trifluoromethyl)phenyl]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975402
(3S)-1-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 97110435
(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97148275
(2S)-5-oxo-N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 95059523
N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 95714450
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
3-[(3R)-1-methylpiperidin-3-yl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 97203525
1-(2-amino-2-oxoethyl)-N-[2-(1-hydroxycyclopentyl)ethyl]piperidine-3-carboxamide
CID 131907538
2-[3-[4-(2-phenylethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70767745

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 97146004) is (3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is NC(=O)CN1CCC[C@H](C(=O)NCCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of (3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is MIDHZCBUDFHBQF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)14-6-2-1-4-12(14)7-8-22-16(25)13-5-3-9-23(10-13)11-15(21)24/h1-2,4,6,13H,3,5,7-11H2,(H2,21,24)(H,22,25)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 97146004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).