1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone

C19H24N2O6 — CID 4893817

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone
SMILESCOc1cc2[nH]c(C(=O)N3CCC4(CC3)OCCO4)cc2c(OC)c1OC
InChIInChI=1S/C19H24N2O6/c1-23-15-11-13-12(16(24-2)17(15)25-3)10-14(20-13)18(22)21-6-4-19(5-7-21)26-8-9-27-19/h10-11,20H,4-9H2,1-3H3
InChIKeyJZHXVKABSXDGQO-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.17
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone (PubChem CID 4893817) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone
PubChem CID4893817
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone
SMILESCOc1cc2[nH]c(C(=O)N3CCC4(CC3)OCCO4)cc2c(OC)c1OC
InChIInChI=1S/C19H24N2O6/c1-23-15-11-13-12(16(24-2)17(15)25-3)10-14(20-13)18(22)21-6-4-19(5-7-21)26-8-9-27-19/h10-11,20H,4-9H2,1-3H3
InChIKeyJZHXVKABSXDGQO-UHFFFAOYSA-N
XLogP2.17
TPSA82.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959
(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763055
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763029
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 113205147
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]methanone
CID 4671505
(4,6-dimethoxy-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848115
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one
CID 51043857
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109055730
N-(1-adamantyl)-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 4898756
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone (CID 4893817) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone is COc1cc2[nH]c(C(=O)N3CCC4(CC3)OCCO4)cc2c(OC)c1OC.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone?
The InChIKey is JZHXVKABSXDGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-23-15-11-13-12(16(24-2)17(15)25-3)10-14(20-13)18(22)21-6-4-19(5-7-21)26-8-9-27-19/h10-11,20H,4-9H2,1-3H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone has a molecular weight of 376.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 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-(4,5,6-trimethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 4893817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).