(2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride

C14H26ClN3O3 — CID 120931925

IUPAC(2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H](NC(=O)[C@H]1NCCO[C@@H]1C)C(=O)N1CCCCC1.Cl
InChIInChI=1S/C14H25N3O3.ClH/c1-10(14(19)17-7-4-3-5-8-17)16-13(18)12-11(2)20-9-6-15-12;/h10-12,15H,3-9H2,1-2H3,(H,16,18);1H/t10-,11+,12-;/m0./s1
InChIKeyJMVOHZUPXIWZHB-XNGOQOFYSA-N
MW319.83 g/mol
LogP0.30
Rot. Bonds3

About (2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120931925) has the molecular formula C14H26ClN3O3 and a molecular weight of 319.83 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride
PubChem CID120931925
Molecular FormulaC14H26ClN3O3
Molecular Weight319.83 g/mol
Exact Mass319.17
IUPAC Name(2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESC[C@H](NC(=O)[C@H]1NCCO[C@@H]1C)C(=O)N1CCCCC1.Cl
InChIInChI=1S/C14H25N3O3.ClH/c1-10(14(19)17-7-4-3-5-8-17)16-13(18)12-11(2)20-9-6-15-12;/h10-12,15H,3-9H2,1-2H3,(H,16,18);1H/t10-,11+,12-;/m0./s1
InChIKeyJMVOHZUPXIWZHB-XNGOQOFYSA-N
XLogP0.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide
CID 120933426
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
(2R,3S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 120923595
(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide
CID 120921594
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
(2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride
CID 120941175
(2R,3S)-N-(3-cyclohexylbutan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120935794
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119292041
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]cyclohexanecarboxamide;hydrochloride
CID 120928753
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride (CID 120931925) is (2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride is C[C@H](NC(=O)[C@H]1NCCO[C@@H]1C)C(=O)N1CCCCC1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is JMVOHZUPXIWZHB-XNGOQOFYSA-N. The full InChI is InChI=1S/C14H25N3O3.ClH/c1-10(14(19)17-7-4-3-5-8-17)16-13(18)12-11(2)20-9-6-15-12;/h10-12,15H,3-9H2,1-2H3,(H,16,18);1H/t10-,11+,12-;/m0./s1.
What are the key properties of (2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120931925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).