1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone

C17H23NO6 — CID 17250139

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)N2CCC3(CC2)OCCO3)cc1OC
InChIInChI=1S/C17H23NO6/c1-20-13-11-15(22-3)14(21-2)10-12(13)16(19)18-6-4-17(5-7-18)23-8-9-24-17/h10-11H,4-9H2,1-3H3
InChIKeyFZLZFNMNTJJOAJ-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.69
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone (PubChem CID 17250139) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
PubChem CID17250139
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)N2CCC3(CC2)OCCO3)cc1OC
InChIInChI=1S/C17H23NO6/c1-20-13-11-15(22-3)14(21-2)10-12(13)16(19)18-6-4-17(5-7-18)23-8-9-24-17/h10-11H,4-9H2,1-3H3
InChIKeyFZLZFNMNTJJOAJ-UHFFFAOYSA-N
XLogP1.69
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
CID 119251705
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 35436399
(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763055
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one
CID 51043857
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763029
(4-ethylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 25236189
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone
CID 4893817
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78983632

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone (CID 17250139) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)N2CCC3(CC2)OCCO3)cc1OC.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone?
The InChIKey is FZLZFNMNTJJOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-20-13-11-15(22-3)14(21-2)10-12(13)16(19)18-6-4-17(5-7-18)23-8-9-24-17/h10-11H,4-9H2,1-3H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone has a molecular weight of 337.37 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 17250139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).