(3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H26F3N3O2 — CID 97125274

IUPAC(3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESC[C@@H](CN1CCOCC1)N1CCC[C@H](C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C15H26F3N3O2/c1-12(9-20-5-7-23-8-6-20)21-4-2-3-13(10-21)14(22)19-11-15(16,17)18/h12-13H,2-11H2,1H3,(H,19,22)/t12-,13-/m0/s1
InChIKeyNSSYUFCAJSNTCA-STQMWFEESA-N
MW337.39 g/mol
LogP1.10
Rot. Bonds5

About (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 97125274) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID97125274
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name(3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESC[C@@H](CN1CCOCC1)N1CCC[C@H](C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C15H26F3N3O2/c1-12(9-20-5-7-23-8-6-20)21-4-2-3-13(10-21)14(22)19-11-15(16,17)18/h12-13H,2-11H2,1H3,(H,19,22)/t12-,13-/m0/s1
InChIKeyNSSYUFCAJSNTCA-STQMWFEESA-N
XLogP1.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

4-(Piperidin-3-ylcarbonyl)morpholine
CID 16227662
[1,4-Bipiperidin]-3-yl(morpholino)methanone
CID 22263098
4-(Piperidine-3-carbonyl)morpholine hydrochloride
CID 17552706
4-[(3R)-piperidine-3-carbonyl]morpholine hydrochloride
CID 165995243
1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988718
(3S)-3-(2-methylpropyl)-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]morpholine-4-carboxamide
CID 132325887
(3R)-3-(morpholine-4-carbonyl)-1,4'-bipiperidine
CID 23589123
2,2-Difluoro-4-methyl-1-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pentan-1-one
CID 57700688
4,4,4-trifluoro-3-methyl-N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]butanamide
CID 134435829
4,4,4-trifluoro-3-methyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide
CID 134505558
3,3,3-trifluoro-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide
CID 134505559
5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 140792818

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 97125274) is (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is C[C@@H](CN1CCOCC1)N1CCC[C@H](C(=O)NCC(F)(F)F)C1.
What is the InChIKey of (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is NSSYUFCAJSNTCA-STQMWFEESA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-12(9-20-5-7-23-8-6-20)21-4-2-3-13(10-21)14(22)19-11-15(16,17)18/h12-13H,2-11H2,1H3,(H,19,22)/t12-,13-/m0/s1.
What are the key properties of (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-1-morpholin-4-ylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97125274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).