1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride

C19H25Cl2N3O2 — CID 120733090

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CCc1ccncc1.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-24-18-5-3-2-4-16(18)17-14-21-12-13-22(17)19(23)7-6-15-8-10-20-11-9-15;;/h2-5,8-11,17,21H,6-7,12-14H2,1H3;2*1H
InChIKeyQRGDJIKLACFJQV-UHFFFAOYSA-N
MW398.33 g/mol
LogP3.04
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride

1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride (PubChem CID 120733090) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
PubChem CID120733090
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CCc1ccncc1.Cl.Cl
InChIInChI=1S/C19H23N3O2.2ClH/c1-24-18-5-3-2-4-16(18)17-14-21-12-13-22(17)19(23)7-6-15-8-10-20-11-9-15;;/h2-5,8-11,17,21H,6-7,12-14H2,1H3;2*1H
InChIKeyQRGDJIKLACFJQV-UHFFFAOYSA-N
XLogP3.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride 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

3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120734985
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 120734991
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 125008891
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one;hydrochloride
CID 120733635
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 120735077
3-(1,3-benzoxazol-2-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120734145
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120733188

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride (CID 120733090) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride is COc1ccccc1C1CNCCN1C(=O)CCc1ccncc1.Cl.Cl.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride?
The InChIKey is QRGDJIKLACFJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.2ClH/c1-24-18-5-3-2-4-16(18)17-14-21-12-13-22(17)19(23)7-6-15-8-10-20-11-9-15;;/h2-5,8-11,17,21H,6-7,12-14H2,1H3;2*1H.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride has a molecular weight of 398.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 120733090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).