1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride

C15H26Cl2N4O — CID 119874206

IUPAC1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCn2ccnc2C1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C15H24N4O.2ClH/c1-12(13-3-2-4-16-10-13)9-15(20)19-8-7-18-6-5-17-14(18)11-19;;/h5-6,12-13,16H,2-4,7-11H2,1H3;2*1H
InChIKeyLTMKYRNURBHHBB-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.09
Rot. Bonds3

About 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride (PubChem CID 119874206) has the molecular formula C15H26Cl2N4O and a molecular weight of 349.31 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
PubChem CID119874206
Molecular FormulaC15H26Cl2N4O
Molecular Weight349.31 g/mol
Exact Mass348.15
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCn2ccnc2C1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C15H24N4O.2ClH/c1-12(13-3-2-4-16-10-13)9-15(20)19-8-7-18-6-5-17-14(18)11-19;;/h5-6,12-13,16H,2-4,7-11H2,1H3;2*1H
InChIKeyLTMKYRNURBHHBB-UHFFFAOYSA-N
XLogP2.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride with MolForge

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119700097
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119881376
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119887175
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119831323
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride (CID 119874206) is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride is CC(CC(=O)N1CCn2ccnc2C1)C1CCCNC1.Cl.Cl.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride?
The InChIKey is LTMKYRNURBHHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.2ClH/c1-12(13-3-2-4-16-10-13)9-15(20)19-8-7-18-6-5-17-14(18)11-19;;/h5-6,12-13,16H,2-4,7-11H2,1H3;2*1H.
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride?
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride has a molecular weight of 349.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride is sourced from PubChem (CID 119874206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).