1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride

C22H30Cl2FN5O — CID 120755543

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCNCC1c1cccnc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN5O.2ClH/c23-19-3-5-20(6-4-19)26-12-14-28(15-13-26)22(29)7-10-27-11-9-25-17-21(27)18-2-1-8-24-16-18;;/h1-6,8,16,21,25H,7,9-15,17H2;2*1H
InChIKeySHHYLYAFRWXQDA-UHFFFAOYSA-N
MW470.42 g/mol
LogP2.75
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride (PubChem CID 120755543) has the molecular formula C22H30Cl2FN5O and a molecular weight of 470.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride
PubChem CID120755543
Molecular FormulaC22H30Cl2FN5O
Molecular Weight470.42 g/mol
Exact Mass469.18
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCl.Cl.O=C(CCN1CCNCC1c1cccnc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN5O.2ClH/c23-19-3-5-20(6-4-19)26-12-14-28(15-13-26)22(29)7-10-27-11-9-25-17-21(27)18-2-1-8-24-16-18;;/h1-6,8,16,21,25H,7,9-15,17H2;2*1H
InChIKeySHHYLYAFRWXQDA-UHFFFAOYSA-N
XLogP2.75
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-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

N-(4-fluorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755246
1-(4-methylpiperidin-1-yl)-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120754690
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-(2-pyridin-3-ylpiperazin-1-yl)ethanamine
CID 120754253
1-[2-(4-fluorophenyl)morpholin-4-yl]-2-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120754386
2-pyridin-3-yl-1-(2-pyridin-3-ylethyl)piperazine;dihydrochloride
CID 120755310
[4-(4-ethylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120732288
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755925
[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730793
N-(cyclopropylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755106
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride (CID 120755543) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride is Cl.Cl.O=C(CCN1CCNCC1c1cccnc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is SHHYLYAFRWXQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O.2ClH/c23-19-3-5-20(6-4-19)26-12-14-28(15-13-26)22(29)7-10-27-11-9-25-17-21(27)18-2-1-8-24-16-18;;/h1-6,8,16,21,25H,7,9-15,17H2;2*1H.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 470.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 120755543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).