2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride

C14H28Cl2N4O3 — CID 120942422

IUPAC2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O3.2ClH/c1-10-11(16-4-9-21-10)12(19)17-5-7-18(8-6-17)14(2,3)13(15)20;;/h10-11,16H,4-9H2,1-3H3,(H2,15,20);2*1H/t10-,11+;;/m1../s1
InChIKeyIESLKOCQEFFGDI-OXPNAJOUSA-N
MW371.31 g/mol
LogP-0.38
Rot. Bonds3

About 2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride

2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride (PubChem CID 120942422) has the molecular formula C14H28Cl2N4O3 and a molecular weight of 371.31 g/mol. Its IUPAC name is 2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride
PubChem CID120942422
Molecular FormulaC14H28Cl2N4O3
Molecular Weight371.31 g/mol
Exact Mass370.15
IUPAC Name2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1.Cl.Cl
InChIInChI=1S/C14H26N4O3.2ClH/c1-10-11(16-4-9-21-10)12(19)17-5-7-18(8-6-17)14(2,3)13(15)20;;/h10-11,16H,4-9H2,1-3H3,(H2,15,20);2*1H/t10-,11+;;/m1../s1
InChIKeyIESLKOCQEFFGDI-OXPNAJOUSA-N
XLogP-0.38
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120916623
(4-tert-butylpiperidin-1-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120929521
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(oxan-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 120942235
2-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]acetamide
CID 120924842
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120919129
[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 120938754
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 120941906
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 120938815
2-methyl-1-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 120924844
[(2R,3S)-2-methylmorpholin-3-yl]-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120930831
[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 120932585
[2-(hydroxymethyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone;hydrochloride
CID 120932154

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride?
The IUPAC name of 2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride (CID 120942422) is 2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N1CCN(C(C)(C)C(N)=O)CC1.Cl.Cl.
What is the InChIKey of 2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride?
The InChIKey is IESLKOCQEFFGDI-OXPNAJOUSA-N. The full InChI is InChI=1S/C14H26N4O3.2ClH/c1-10-11(16-4-9-21-10)12(19)17-5-7-18(8-6-17)14(2,3)13(15)20;;/h10-11,16H,4-9H2,1-3H3,(H2,15,20);2*1H/t10-,11+;;/m1../s1.
What are the key properties of 2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride?
2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride has a molecular weight of 371.31 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]propanamide;dihydrochloride is sourced from PubChem (CID 120942422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).