2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide

C17H32N4O3 — CID 95339706

IUPAC2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide
SMILESC[C@H]1CCC[C@H](C)N1C(=O)CO/N=C(\N)CN1CCOC(C)(C)C1
InChIInChI=1S/C17H32N4O3/c1-13-6-5-7-14(2)21(13)16(22)11-24-19-15(18)10-20-8-9-23-17(3,4)12-20/h13-14H,5-12H2,1-4H3,(H2,18,19)/t13-,14-/m0/s1
InChIKeyXYPYEYHGVWQFAR-KBPBESRZSA-N
MW340.47 g/mol
LogP1.18
Rot. Bonds5

About 2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide

2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide (PubChem CID 95339706) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide
PubChem CID95339706
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide
SMILESC[C@H]1CCC[C@H](C)N1C(=O)CO/N=C(\N)CN1CCOC(C)(C)C1
InChIInChI=1S/C17H32N4O3/c1-13-6-5-7-14(2)21(13)16(22)11-24-19-15(18)10-20-8-9-23-17(3,4)12-20/h13-14H,5-12H2,1-4H3,(H2,18,19)/t13-,14-/m0/s1
InChIKeyXYPYEYHGVWQFAR-KBPBESRZSA-N
XLogP1.18
TPSA80.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-N'-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]ethanimidamide
CID 126803338
2-(2,2-dimethylmorpholin-4-yl)-1-piperidin-1-ylethanone
CID 70907050
ethyl 4-(2,2-dimethylmorpholin-4-yl)-3-oxobutanoate
CID 63898681
2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
CID 130684724
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 120774690
methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate
CID 89049260
1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 43797360
2-[[1-amino-2-(2,6-dimethylpiperidin-1-yl)ethylidene]amino]oxy-N-(2-methylcyclohexyl)acetamide
CID 126817139
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 86984171
ethyl 2-amino-2-cyclopropyl-3-(2,2-dimethylmorpholin-4-yl)propanoate
CID 63911116
2-(3-aminocyclohexyl)-1-(2,2-dimethylmorpholin-4-yl)ethanone
CID 62781870
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone
CID 94513032

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide (CID 95339706) is 2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide is C[C@H]1CCC[C@H](C)N1C(=O)CO/N=C(\N)CN1CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide?
The InChIKey is XYPYEYHGVWQFAR-KBPBESRZSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-13-6-5-7-14(2)21(13)16(22)11-24-19-15(18)10-20-8-9-23-17(3,4)12-20/h13-14H,5-12H2,1-4H3,(H2,18,19)/t13-,14-/m0/s1.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide?
2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide has a molecular weight of 340.47 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide is sourced from PubChem (CID 95339706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).