3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride

C17H29Cl2N5O — CID 119854129

IUPAC3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCN(c2cnccn2)CC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27N5O.2ClH/c1-14(15-2-4-18-5-3-15)12-17(23)22-10-8-21(9-11-22)16-13-19-6-7-20-16;;/h6-7,13-15,18H,2-5,8-12H2,1H3;2*1H
InChIKeyIAVGUOOGGZSQJY-UHFFFAOYSA-N
MW390.36 g/mol
LogP1.99
Rot. Bonds4

About 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride

3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride (PubChem CID 119854129) has the molecular formula C17H29Cl2N5O and a molecular weight of 390.36 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
PubChem CID119854129
Molecular FormulaC17H29Cl2N5O
Molecular Weight390.36 g/mol
Exact Mass389.17
IUPAC Name3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCN(c2cnccn2)CC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27N5O.2ClH/c1-14(15-2-4-18-5-3-15)12-17(23)22-10-8-21(9-11-22)16-13-19-6-7-20-16;;/h6-7,13-15,18H,2-5,8-12H2,1H3;2*1H
InChIKeyIAVGUOOGGZSQJY-UHFFFAOYSA-N
XLogP1.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-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-piperidin-4-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 119827988
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
3-piperidin-4-yl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butan-1-one
CID 119863971
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119843578
N-methyl-3-piperidin-4-yl-N-(pyrazin-2-ylmethyl)butanamide;dihydrochloride
CID 119867890
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119828414
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119829102
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119886168
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
CID 119727435
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119720804

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride?
The IUPAC name of 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride (CID 119854129) is 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride?
The canonical SMILES for 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride is CC(CC(=O)N1CCN(c2cnccn2)CC1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride?
The InChIKey is IAVGUOOGGZSQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.2ClH/c1-14(15-2-4-18-5-3-15)12-17(23)22-10-8-21(9-11-22)16-13-19-6-7-20-16;;/h6-7,13-15,18H,2-5,8-12H2,1H3;2*1H.
What are the key properties of 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride?
3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride is sourced from PubChem (CID 119854129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).