1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid

C18H24N2O4 — CID 91503826

IUPAC1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)O)CC1)C(=O)N2C(C)(C)C
InChIInChI=1S/C18H24N2O4/c1-17(2,3)20-14-6-5-12(24-4)11-13(14)18(15(20)21)7-9-19(10-8-18)16(22)23/h5-6,11H,7-10H2,1-4H3,(H,22,23)
InChIKeySQZYUSSFCWWRMD-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.85
Rot. Bonds1

About 1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid

1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid (PubChem CID 91503826) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid
PubChem CID91503826
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)O)CC1)C(=O)N2C(C)(C)C
InChIInChI=1S/C18H24N2O4/c1-17(2,3)20-14-6-5-12(24-4)11-13(14)18(15(20)21)7-9-19(10-8-18)16(22)23/h5-6,11H,7-10H2,1-4H3,(H,22,23)
InChIKeySQZYUSSFCWWRMD-UHFFFAOYSA-N
XLogP2.85
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1'-(3,5-dimethoxybenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104144
5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 53177255
1'-(cyclopentanecarbonyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177264
(3R)-1'-(4-fluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104137
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
(3R)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104175
(3S)-5-methoxy-1'-(2-methoxybenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104122
1'-(3,4-difluorobenzoyl)-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177266
(3S)-5-methoxy-1-methyl-1'-(thiophene-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95104114
(3S)-5-methoxy-N-(2-methoxyethyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104286
tert-butyl (3R)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706344
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid (CID 91503826) is 1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid is COc1ccc2c(c1)C1(CCN(C(=O)O)CC1)C(=O)N2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid?
The InChIKey is SQZYUSSFCWWRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-17(2,3)20-14-6-5-12(24-4)11-13(14)18(15(20)21)7-9-19(10-8-18)16(22)23/h5-6,11H,7-10H2,1-4H3,(H,22,23).
What are the key properties of 1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid?
1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methoxy-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 91503826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).