1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one

C24H28N2O4 — CID 172667070

IUPAC1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one
SMILESCOc1cccc2c1C1(CCN(C(=O)c3c(C)ccn(C4CC4)c3=O)CC1)OCC2
InChIInChI=1S/C24H28N2O4/c1-16-8-12-26(18-6-7-18)23(28)20(16)22(27)25-13-10-24(11-14-25)21-17(9-15-30-24)4-3-5-19(21)29-2/h3-5,8,12,18H,6-7,9-11,13-15H2,1-2H3
InChIKeyWYPHLENAYXOWSF-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.20
Rot. Bonds3

About 1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one

1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one (PubChem CID 172667070) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one
PubChem CID172667070
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one
SMILESCOc1cccc2c1C1(CCN(C(=O)c3c(C)ccn(C4CC4)c3=O)CC1)OCC2
InChIInChI=1S/C24H28N2O4/c1-16-8-12-26(18-6-7-18)23(28)20(16)22(27)25-13-10-24(11-14-25)21-17(9-15-30-24)4-3-5-19(21)29-2/h3-5,8,12,18H,6-7,9-11,13-15H2,1-2H3
InChIKeyWYPHLENAYXOWSF-UHFFFAOYSA-N
XLogP3.20
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one (CID 172667070) is 1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one is COc1cccc2c1C1(CCN(C(=O)c3c(C)ccn(C4CC4)c3=O)CC1)OCC2.
What is the InChIKey of 1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one?
The InChIKey is WYPHLENAYXOWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16-8-12-26(18-6-7-18)23(28)20(16)22(27)25-13-10-24(11-14-25)21-17(9-15-30-24)4-3-5-19(21)29-2/h3-5,8,12,18H,6-7,9-11,13-15H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one?
1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one has a molecular weight of 408.50 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-4-methylpyridin-2-one is sourced from PubChem (CID 172667070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).