[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

C24H25N3O4 — CID 18444282

IUPAC[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCN(c4ccc(O)cc4)CC3)n2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-30-22-11-6-17(16-23(22)31-2)20-4-3-5-21(25-20)24(29)27-14-12-26(13-15-27)18-7-9-19(28)10-8-18/h3-11,16,28H,12-15H2,1-2H3
InChIKeyUIUYBIBASFWKOM-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.43
Rot. Bonds5

About [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 18444282) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID18444282
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCN(c4ccc(O)cc4)CC3)n2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-30-22-11-6-17(16-23(22)31-2)20-4-3-5-21(25-20)24(29)27-14-12-26(13-15-27)18-7-9-19(28)10-8-18/h3-11,16,28H,12-15H2,1-2H3
InChIKeyUIUYBIBASFWKOM-UHFFFAOYSA-N
XLogP3.43
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]methanone
CID 18444285
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4535152
ethyl 6-[2-[4-[6-(3,4-dimethoxyphenyl)pyridine-2-carbonyl]piperazin-1-yl]phenoxy]hexanoate
CID 139945105
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 42110700
(3,5-dimethoxy-4-methylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777604
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
[(2S,5R)-4-(4-aminophenyl)-2,5-dimethylpiperazin-1-yl]-[6-(3,4-dimethoxyphenyl)-2-pyridinyl]methanone;hydrate;hydrochloride
CID 18444294
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 645863
[4-[4-[2-(3,4-dimethoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-6-yl]phenyl]piperazin-1-yl]-phenylmethanone
CID 169281553
[6-(4-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211403
[6-(3-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211283

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (CID 18444282) is [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is COc1ccc(-c2cccc(C(=O)N3CCN(c4ccc(O)cc4)CC3)n2)cc1OC.
What is the InChIKey of [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is UIUYBIBASFWKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-22-11-6-17(16-23(22)31-2)20-4-3-5-21(25-20)24(29)27-14-12-26(13-15-27)18-7-9-19(28)10-8-18/h3-11,16,28H,12-15H2,1-2H3.
What are the key properties of [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
[6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 419.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethoxyphenyl)-2-pyridinyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 18444282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).