morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone

C14H19NO5 — CID 12478

💊View drug profile → trimetozine
IUPACmorpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCOCC2)cc(OC)c1OC
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
InChIKeyXWVOEFLBOSSYGM-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.18
Rot. Bonds4

About morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone

morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 12478) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone
PubChem CID12478
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemorpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCOCC2)cc(OC)c1OC
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
InChIKeyXWVOEFLBOSSYGM-UHFFFAOYSA-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 ≤ 500281.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Troxipide
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Itopride
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Trimethobenzamide Hydrochloride
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Itopride Hydrochloride
CID 129791
Opiranserin
CID 71566778
3,4,5-Trimethoxybenzamide
CID 18334
Trocimine
CID 26650
Capobenic Acid
CID 30627
N-Methylcorydaldine
CID 303906
CX-546
CID 2890
N,N'-Bis(3,4,5-trimethoxylbenzoyl)-2-piperizinylmethyl 2,2-dimethylpropanoate
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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone (CID 12478) is morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is XWVOEFLBOSSYGM-UHFFFAOYSA-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.
What are the key properties of morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone?
morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 281.31 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 morpholin-4-yl-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 12478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).