1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one

C36H35N3O3 — CID 44571706

IUPAC1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2cc(N3CCCCC3)ccc21
InChIInChI=1S/C36H35N3O3/c40-33-25-36(42-34-24-29(14-15-30(33)34)38-18-8-3-9-19-38)16-20-39(21-17-36)35(41)28-22-31(26-10-4-1-5-11-26)37-32(23-28)27-12-6-2-7-13-27/h1-2,4-7,10-15,22-24H,3,8-9,16-21,25H2
InChIKeyUMLNHNIMYHYPPX-UHFFFAOYSA-N
MW557.69 g/mol
LogP7.05
Rot. Bonds4

About 1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 44571706) has the molecular formula C36H35N3O3 and a molecular weight of 557.69 g/mol. Its IUPAC name is 1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID44571706
Molecular FormulaC36H35N3O3
Molecular Weight557.69 g/mol
Exact Mass557.27
IUPAC Name1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2cc(N3CCCCC3)ccc21
InChIInChI=1S/C36H35N3O3/c40-33-25-36(42-34-24-29(14-15-30(33)34)38-18-8-3-9-19-38)16-20-39(21-17-36)35(41)28-22-31(26-10-4-1-5-11-26)37-32(23-28)27-12-6-2-7-13-27/h1-2,4-7,10-15,22-24H,3,8-9,16-21,25H2
InChIKeyUMLNHNIMYHYPPX-UHFFFAOYSA-N
XLogP7.05
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.69
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 44571706) is 1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)Oc2cc(N3CCCCC3)ccc21.
What is the InChIKey of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is UMLNHNIMYHYPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N3O3/c40-33-25-36(42-34-24-29(14-15-30(33)34)38-18-8-3-9-19-38)16-20-39(21-17-36)35(41)28-22-31(26-10-4-1-5-11-26)37-32(23-28)27-12-6-2-7-13-27/h1-2,4-7,10-15,22-24H,3,8-9,16-21,25H2.
What are the key properties of 1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 557.69 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,6-diphenylpyridine-4-carbonyl)-7-piperidin-1-ylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 44571706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).