[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride

C24H26ClN3O3 — CID 11604587

IUPAC[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3cnccc3-c3ccccc3)CC2)c1.Cl
InChIInChI=1S/C24H25N3O3.ClH/c1-29-20-14-19(15-21(16-20)30-2)26-10-12-27(13-11-26)24(28)23-17-25-9-8-22(23)18-6-4-3-5-7-18;/h3-9,14-17H,10-13H2,1-2H3;1H
InChIKeyCQNBROUZDHAHAA-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.15
Rot. Bonds5

About [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride

[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride (PubChem CID 11604587) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride
PubChem CID11604587
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3cnccc3-c3ccccc3)CC2)c1.Cl
InChIInChI=1S/C24H25N3O3.ClH/c1-29-20-14-19(15-21(16-20)30-2)26-10-12-27(13-11-26)24(28)23-17-25-9-8-22(23)18-6-4-3-5-7-18;/h3-9,14-17H,10-13H2,1-2H3;1H
InChIKeyCQNBROUZDHAHAA-UHFFFAOYSA-N
XLogP4.15
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(1-methyl-4-phenyl-1-pyridin-3-ylpyrrol-1-ium-3-yl)methanone
CID 91251440
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 91767375
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-1H-imidazol-5-yl)methanone
CID 11383785
[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31566098
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(2-methylsulfinyl-4-phenyl-1H-imidazol-5-yl)methanone
CID 11487853
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
[4-(3-methoxy-4-pyridinyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 162632308

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride?
The IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride (CID 11604587) is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride.
What is the SMILES notation for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride?
The canonical SMILES for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride is COc1cc(OC)cc(N2CCN(C(=O)c3cnccc3-c3ccccc3)CC2)c1.Cl.
What is the InChIKey of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride?
The InChIKey is CQNBROUZDHAHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3.ClH/c1-29-20-14-19(15-21(16-20)30-2)26-10-12-27(13-11-26)24(28)23-17-25-9-8-22(23)18-6-4-3-5-7-18;/h3-9,14-17H,10-13H2,1-2H3;1H.
What are the key properties of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride?
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride has a molecular weight of 439.94 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride is sourced from PubChem (CID 11604587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).