7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C37H37N3O4 — CID 44571708

IUPAC7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC1COCC(C)N1c1ccc2c(c1)OC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)CC2=O
InChIInChI=1S/C37H37N3O4/c1-25-23-43-24-26(2)40(25)30-13-14-31-34(41)22-37(44-35(31)21-30)15-17-39(18-16-37)36(42)29-19-32(27-9-5-3-6-10-27)38-33(20-29)28-11-7-4-8-12-28/h3-14,19-21,25-26H,15-18,22-24H2,1-2H3
InChIKeyLNWIITLZXLDIPQ-UHFFFAOYSA-N
MW587.72 g/mol
LogP6.67
Rot. Bonds4

About 7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44571708) has the molecular formula C37H37N3O4 and a molecular weight of 587.72 g/mol. Its IUPAC name is 7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID44571708
Molecular FormulaC37H37N3O4
Molecular Weight587.72 g/mol
Exact Mass587.28
IUPAC Name7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC1COCC(C)N1c1ccc2c(c1)OC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)CC2=O
InChIInChI=1S/C37H37N3O4/c1-25-23-43-24-26(2)40(25)30-13-14-31-34(41)22-37(44-35(31)21-30)15-17-39(18-16-37)36(42)29-19-32(27-9-5-3-6-10-27)38-33(20-29)28-11-7-4-8-12-28/h3-14,19-21,25-26H,15-18,22-24H2,1-2H3
InChIKeyLNWIITLZXLDIPQ-UHFFFAOYSA-N
XLogP6.67
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 44571708) is 7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is CC1COCC(C)N1c1ccc2c(c1)OC1(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC1)CC2=O.
What is the InChIKey of 7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is LNWIITLZXLDIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N3O4/c1-25-23-43-24-26(2)40(25)30-13-14-31-34(41)22-37(44-35(31)21-30)15-17-39(18-16-37)36(42)29-19-32(27-9-5-3-6-10-27)38-33(20-29)28-11-7-4-8-12-28/h3-14,19-21,25-26H,15-18,22-24H2,1-2H3.
What are the key properties of 7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 587.72 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylmorpholin-4-yl)-1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44571708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).