4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

C21H29N3O4 — CID 171912115

IUPAC4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOC1CN(C)C(=O)C2(CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)C1
InChIInChI=1S/C21H29N3O4/c1-13-17-15(5-4-6-16(17)25)22-18(13)19(26)24-9-7-21(8-10-24)11-14(28-3)12-23(2)20(21)27/h14,22H,4-12H2,1-3H3
InChIKeyBIZYIRCMBADICP-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.94
Rot. Bonds2

About 4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one

4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 171912115) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID171912115
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOC1CN(C)C(=O)C2(CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)C1
InChIInChI=1S/C21H29N3O4/c1-13-17-15(5-4-6-16(17)25)22-18(13)19(26)24-9-7-21(8-10-24)11-14(28-3)12-23(2)20(21)27/h14,22H,4-12H2,1-3H3
InChIKeyBIZYIRCMBADICP-UHFFFAOYSA-N
XLogP1.94
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one (CID 171912115) is 4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is COC1CN(C)C(=O)C2(CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)C1.
What is the InChIKey of 4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is BIZYIRCMBADICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-13-17-15(5-4-6-16(17)25)22-18(13)19(26)24-9-7-21(8-10-24)11-14(28-3)12-23(2)20(21)27/h14,22H,4-12H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one?
4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 387.48 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-9-(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 171912115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).