(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

C14H19NO5 — CID 71752843

IUPAC(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1([2H])[2H]
InChIInChI=1S/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2
InChIKeyXWVOEFLBOSSYGM-DUSUNJSHSA-N
MW289.36 g/mol
LogP1.18
Rot. Bonds4

About (2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone

(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71752843) has the molecular formula C14H19NO5 and a molecular weight of 289.36 g/mol. Its IUPAC name is (2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71752843
Molecular FormulaC14H19NO5
Molecular Weight289.36 g/mol
Exact Mass289.18
IUPAC Name(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILES[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1([2H])[2H]
InChIInChI=1S/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2
InChIKeyXWVOEFLBOSSYGM-DUSUNJSHSA-N
XLogP1.18
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119564338
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
thiaziridin-2-yl-(3,4,5-trimethoxyphenyl)methanone
CID 142936854
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(3,5-dimethylmorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110292317
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1148012
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
2-methyl-1-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796841

Frequently Asked Questions

What is the IUPAC name of (2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 71752843) is (2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is [2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1([2H])[2H].
What is the InChIKey of (2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is XWVOEFLBOSSYGM-DUSUNJSHSA-N. The full InChI is InChI=1S/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3/i4D2,5D2,6D2,7D2.
What are the key properties of (2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 289.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71752843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).