8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one

C25H22N2O2 — CID 44562319

IUPAC8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ccnc(-c4ccccc4)c3)cccc12
InChIInChI=1S/C25H22N2O2/c28-23-17-24(27-14-5-2-6-15-27)29-25-20(10-7-11-21(23)25)19-12-13-26-22(16-19)18-8-3-1-4-9-18/h1,3-4,7-13,16-17H,2,5-6,14-15H2
InChIKeyYNMQGQNOARZOEC-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.51
Rot. Bonds3

About 8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one

8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one (PubChem CID 44562319) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one.

Molecular Properties

Compound Name8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one
PubChem CID44562319
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3ccnc(-c4ccccc4)c3)cccc12
InChIInChI=1S/C25H22N2O2/c28-23-17-24(27-14-5-2-6-15-27)29-25-20(10-7-11-21(23)25)19-12-13-26-22(16-19)18-8-3-1-4-9-18/h1,3-4,7-13,16-17H,2,5-6,14-15H2
InChIKeyYNMQGQNOARZOEC-UHFFFAOYSA-N
XLogP5.51
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5H-chromeno(2,3-b)pyridin-5-one
CID 659312
2-Pyridin-3-yl-benzo[h]chromen-4-one
CID 323484
2-Phenyl-3-pyridin-4-ylmethylene-chroman-4-one
CID 6116651
(3E)-2-phenyl-3-(pyridin-4-ylmethylidene)chromen-4-one
CID 44266353
2-Pyridin-3-ylchromen-4-one
CID 241786
(3E)-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 1551716
1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 10314056
6-(6-Piperidin-1-yl-hexyloxy)-2-pyridin-3-yl-chromen-4-one
CID 14983049
1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 19045287
7-methoxy-6-propyl-3-(pyridin-2-yl)-4H-chromen-4-one
CID 740743
1-(2-Methoxy-1-naphthyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5341678
6-Methyl-2-pyridin-3-ylchromen-4-one
CID 10988288

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one?
The IUPAC name of 8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one (CID 44562319) is 8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one.
What is the SMILES notation for 8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one?
The canonical SMILES for 8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3ccnc(-c4ccccc4)c3)cccc12.
What is the InChIKey of 8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one?
The InChIKey is YNMQGQNOARZOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-23-17-24(27-14-5-2-6-15-27)29-25-20(10-7-11-21(23)25)19-12-13-26-22(16-19)18-8-3-1-4-9-18/h1,3-4,7-13,16-17H,2,5-6,14-15H2.
What are the key properties of 8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one?
8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one has a molecular weight of 382.46 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenyl-4-pyridinyl)-2-piperidin-1-ylchromen-4-one is sourced from PubChem (CID 44562319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).