3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one

C27H24N2O3 — CID 163002430

IUPAC3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCCCC3c3cccnc3)cccc2c1=O
InChIInChI=1S/C27H24N2O3/c1-18-24(30)21-12-7-13-22(26(21)32-25(18)19-9-3-2-4-10-19)27(31)29-16-6-5-14-23(29)20-11-8-15-28-17-20/h2-4,7-13,15,17,23H,5-6,14,16H2,1H3
InChIKeySKFXCFJWMZBYFR-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.53
Rot. Bonds3

About 3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one

3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one (PubChem CID 163002430) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one
PubChem CID163002430
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one
SMILESCc1c(-c2ccccc2)oc2c(C(=O)N3CCCCC3c3cccnc3)cccc2c1=O
InChIInChI=1S/C27H24N2O3/c1-18-24(30)21-12-7-13-22(26(21)32-25(18)19-9-3-2-4-10-19)27(31)29-16-6-5-14-23(29)20-11-8-15-28-17-20/h2-4,7-13,15,17,23H,5-6,14,16H2,1H3
InChIKeySKFXCFJWMZBYFR-UHFFFAOYSA-N
XLogP5.53
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
8-(azepane-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 18108125
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)piperidine-4-carboxylic acid
CID 119166358
8-(4-hydroxypiperidine-1-carbonyl)-3-methyl-2-phenylchromen-4-one
CID 78802519
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(5-bromo-2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 65311628
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 41009907
(2R)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 125166444
N-benzyl-4-oxo-1-propan-2-yl-5-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 45195904
1-(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55811024
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one?
The IUPAC name of 3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one (CID 163002430) is 3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one?
The canonical SMILES for 3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one is Cc1c(-c2ccccc2)oc2c(C(=O)N3CCCCC3c3cccnc3)cccc2c1=O.
What is the InChIKey of 3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one?
The InChIKey is SKFXCFJWMZBYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-18-24(30)21-12-7-13-22(26(21)32-25(18)19-9-3-2-4-10-19)27(31)29-16-6-5-14-23(29)20-11-8-15-28-17-20/h2-4,7-13,15,17,23H,5-6,14,16H2,1H3.
What are the key properties of 3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one?
3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one has a molecular weight of 424.50 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-8-(2-pyridin-3-ylpiperidine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 163002430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).