[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone

C18H30N2O4 — CID 124866912

IUPAC[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@H]2C)C1
InChIInChI=1S/C18H30N2O4/c1-13-11-23-8-6-19(13)17(21)15-4-3-5-16(10-15)18(22)20-7-9-24-12-14(20)2/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16+/m1/s1
InChIKeyOIXKASULZLJBOB-FPCVCCKLSA-N
MW338.45 g/mol
LogP1.29
Rot. Bonds2

About [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone

[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 124866912) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID124866912
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@H]2C)C1
InChIInChI=1S/C18H30N2O4/c1-13-11-23-8-6-19(13)17(21)15-4-3-5-16(10-15)18(22)20-7-9-24-12-14(20)2/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16+/m1/s1
InChIKeyOIXKASULZLJBOB-FPCVCCKLSA-N
XLogP1.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
CID 95614757
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
cis-(1S,3R)-3-[(3R)-3-ethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98549374
7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone
CID 71925557
(3-methylmorpholin-4-yl)-(3-methylpiperidin-2-yl)methanone
CID 62340300
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
(4-aminocyclopent-2-en-1-yl)-(3-methylmorpholin-4-yl)methanone
CID 79211164
(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 106773953
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
(4-aminooxolan-3-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774354
[(3R)-3-methylmorpholin-4-yl]-(1-propylsulfonylpiperidin-2-yl)methanone
CID 146129267
methyl 3-methylmorpholine-4-carboxylate
CID 110292243

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone (CID 124866912) is [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone is C[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H](C(=O)N2CCOC[C@H]2C)C1.
What is the InChIKey of [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is OIXKASULZLJBOB-FPCVCCKLSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-13-11-23-8-6-19(13)17(21)15-4-3-5-16(10-15)18(22)20-7-9-24-12-14(20)2/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16+/m1/s1.
What are the key properties of [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone?
[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 124866912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).