3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide

C15H26F3N3O2 — CID 71862963

IUPAC3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide
SMILESCC1COCCN1C(=O)NCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O2/c1-12-10-23-9-8-21(12)14(22)19-5-2-13-3-6-20(7-4-13)11-15(16,17)18/h12-13H,2-11H2,1H3,(H,19,22)
InChIKeyFELAFJGIIRSFET-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.08
Rot. Bonds4

About 3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide

3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide (PubChem CID 71862963) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide
PubChem CID71862963
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide
SMILESCC1COCCN1C(=O)NCCC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O2/c1-12-10-23-9-8-21(12)14(22)19-5-2-13-3-6-20(7-4-13)11-15(16,17)18/h12-13H,2-11H2,1H3,(H,19,22)
InChIKeyFELAFJGIIRSFET-UHFFFAOYSA-N
XLogP2.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 97372210
N-(2-methylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 97396375
Sdccgsbi-0662520.P001
CID 118740487
1-Isopropyl-3-((1-(2-methoxyethyl)piperidin-4-yl)methyl)urea
CID 45558725
1-[(2S)-1-hydroxypropan-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650241
1-(cyclobutylmethyl)-1-methyl-3-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 97559008
(3R)-N-methyl-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 97976648
(3S)-3-(2-methylpropyl)-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]morpholine-4-carboxamide
CID 132325887
4-Fluoro-4-(morpholine-4-carbonyl)-N-propylpiperidine-1-carboxamide
CID 132443361
morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone
CID 164640198
1-(morpholine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 136574353
N-(2,2,4,4-tetrafluoro-3-methylpentan-3-yl)morpholine-4-carboxamide
CID 71046466

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide (CID 71862963) is 3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide is CC1COCCN1C(=O)NCCC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide?
The InChIKey is FELAFJGIIRSFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-12-10-23-9-8-21(12)14(22)19-5-2-13-3-6-20(7-4-13)11-15(16,17)18/h12-13H,2-11H2,1H3,(H,19,22).
What are the key properties of 3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide?
3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 71862963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).