N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H26F3N3O3 — CID 120935510

IUPACN-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)[C@H]2NCCO[C@@H]2C)C1
InChIInChI=1S/C16H26F3N3O3/c1-3-21(10-16(17,18)19)14(23)12-5-4-7-22(9-12)15(24)13-11(2)25-8-6-20-13/h11-13,20H,3-10H2,1-2H3/t11-,12?,13+/m1/s1
InChIKeyNEUZUSDGNIVSFS-YPHAAILGSA-N
MW365.40 g/mol
LogP1.01
Rot. Bonds4

About N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 120935510) has the molecular formula C16H26F3N3O3 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID120935510
Molecular FormulaC16H26F3N3O3
Molecular Weight365.40 g/mol
Exact Mass365.19
IUPAC NameN-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)[C@H]2NCCO[C@@H]2C)C1
InChIInChI=1S/C16H26F3N3O3/c1-3-21(10-16(17,18)19)14(23)12-5-4-7-22(9-12)15(24)13-11(2)25-8-6-20-13/h11-13,20H,3-10H2,1-2H3/t11-,12?,13+/m1/s1
InChIKeyNEUZUSDGNIVSFS-YPHAAILGSA-N
XLogP1.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
N-ethyl-1-(1,3-thiazolidine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride
CID 119336893
(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129434566
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120563518
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 120938815
[3-(diethylaminomethyl)pyrrolidin-1-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120942415
1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 120920419
1-(2-chlorofuran-3-carbonyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136536554
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
3-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]propanamide
CID 120928873
(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129424922

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 120935510) is N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1CCCN(C(=O)[C@H]2NCCO[C@@H]2C)C1.
What is the InChIKey of N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is NEUZUSDGNIVSFS-YPHAAILGSA-N. The full InChI is InChI=1S/C16H26F3N3O3/c1-3-21(10-16(17,18)19)14(23)12-5-4-7-22(9-12)15(24)13-11(2)25-8-6-20-13/h11-13,20H,3-10H2,1-2H3/t11-,12?,13+/m1/s1.
What are the key properties of N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 120935510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).