[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone

C18H26N2O3 — CID 167833927

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(CN3CCOCC3)cc2)C[C@H](C)O1
InChIInChI=1S/C18H26N2O3/c1-14-11-20(12-15(2)23-14)18(21)17-5-3-16(4-6-17)13-19-7-9-22-10-8-19/h3-6,14-15H,7-13H2,1-2H3/t14-,15+
InChIKeyCOLJQXSTDPSXML-GASCZTMLSA-N
MW318.42 g/mol
LogP1.77
Rot. Bonds3

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 167833927) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID167833927
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(CN3CCOCC3)cc2)C[C@H](C)O1
InChIInChI=1S/C18H26N2O3/c1-14-11-20(12-15(2)23-14)18(21)17-5-3-16(4-6-17)13-19-7-9-22-10-8-19/h3-6,14-15H,7-13H2,1-2H3/t14-,15+
InChIKeyCOLJQXSTDPSXML-GASCZTMLSA-N
XLogP1.77
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone with MolForge

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Related Compounds

1-[4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55623264
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 42031790
[(3R)-3-aminopiperidin-1-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 124594256
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 27660858
2-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]acetonitrile
CID 82179212
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540253
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone (CID 167833927) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone is C[C@@H]1CN(C(=O)c2ccc(CN3CCOCC3)cc2)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is COLJQXSTDPSXML-GASCZTMLSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-11-20(12-15(2)23-14)18(21)17-5-3-16(4-6-17)13-19-7-9-22-10-8-19/h3-6,14-15H,7-13H2,1-2H3/t14-,15+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 167833927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).