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

C31H26N2O3 — CID 44571700

IUPAC1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2ccccc21
InChIInChI=1S/C31H26N2O3/c34-28-21-31(36-29-14-8-7-13-25(28)29)15-17-33(18-16-31)30(35)24-19-26(22-9-3-1-4-10-22)32-27(20-24)23-11-5-2-6-12-23/h1-14,19-20H,15-18,21H2
InChIKeyQECUTLNAXBTBCH-UHFFFAOYSA-N
MW474.56 g/mol
LogP6.06
Rot. Bonds3

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

1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44571700) has the molecular formula C31H26N2O3 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID44571700
Molecular FormulaC31H26N2O3
Molecular Weight474.56 g/mol
Exact Mass474.19
IUPAC Name1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2ccccc21
InChIInChI=1S/C31H26N2O3/c34-28-21-31(36-29-14-8-7-13-25(28)29)15-17-33(18-16-31)30(35)24-19-26(22-9-3-1-4-10-22)32-27(20-24)23-11-5-2-6-12-23/h1-14,19-20H,15-18,21H2
InChIKeyQECUTLNAXBTBCH-UHFFFAOYSA-N
XLogP6.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 44571700) is 1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is QECUTLNAXBTBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O3/c34-28-21-31(36-29-14-8-7-13-25(28)29)15-17-33(18-16-31)30(35)24-19-26(22-9-3-1-4-10-22)32-27(20-24)23-11-5-2-6-12-23/h1-14,19-20H,15-18,21H2.
What are the key properties of 1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 474.56 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,6-diphenylpyridine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44571700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).