[4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C24H23N3O4 — CID 90074999

IUPAC[4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(O)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C24H23N3O4/c1-31-19-6-4-18(5-7-19)22(28)24(30)10-15-27(16-11-24)23(29)20-3-2-12-26-21(20)17-8-13-25-14-9-17/h2-9,12-14,30H,10-11,15-16H2,1H3
InChIKeyJBWUQMDKSQYLTE-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.00
Rot. Bonds5

About [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 90074999) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID90074999
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name[4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2(O)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)cc1
InChIInChI=1S/C24H23N3O4/c1-31-19-6-4-18(5-7-19)22(28)24(30)10-15-27(16-11-24)23(29)20-3-2-12-26-21(20)17-8-13-25-14-9-17/h2-9,12-14,30H,10-11,15-16H2,1H3
InChIKeyJBWUQMDKSQYLTE-UHFFFAOYSA-N
XLogP3.00
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone with MolForge

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Related Compounds

4-[(2,6-difluoro-4-methylphenyl)methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 167560608
[4-[(2,4-difluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 71547643
[4-[(3-chloropyrazin-2-yl)methyl]-4-fluoropiperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 163385786
[4-amino-4-[(3,4-difluorophenyl)methyl]piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
CID 123415741
1-(2-pyridin-4-yl-3-pyridinyl)ethanone
CID 155731304
4-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155343890
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
(2-chloro-3-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159021
4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidine-4-carbonitrile
CID 155343860
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 51210361

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 90074999) is [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2(O)CCN(C(=O)c3cccnc3-c3ccncc3)CC2)cc1.
What is the InChIKey of [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is JBWUQMDKSQYLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-31-19-6-4-18(5-7-19)22(28)24(30)10-15-27(16-11-24)23(29)20-3-2-12-26-21(20)17-8-13-25-14-9-17/h2-9,12-14,30H,10-11,15-16H2,1H3.
What are the key properties of [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 417.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-1-(2-pyridin-4-ylpyridine-3-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 90074999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).