[2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride

C20H26Cl3N5O — CID 120739715

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCN(c2cnccn2)CC1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H24ClN5O.2ClH/c21-17-4-2-1-3-16(17)18-13-23-9-12-26(18)20(27)15-5-10-25(11-6-15)19-14-22-7-8-24-19;;/h1-4,7-8,14-15,18,23H,5-6,9-13H2;2*1H
InChIKeyUUPAFJKDYNGKCA-UHFFFAOYSA-N
MW458.82 g/mol
LogP3.36
Rot. Bonds3

About [2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride

[2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride (PubChem CID 120739715) has the molecular formula C20H26Cl3N5O and a molecular weight of 458.82 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride
PubChem CID120739715
Molecular FormulaC20H26Cl3N5O
Molecular Weight458.82 g/mol
Exact Mass457.12
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCN(c2cnccn2)CC1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H24ClN5O.2ClH/c21-17-4-2-1-3-16(17)18-13-23-9-12-26(18)20(27)15-5-10-25(11-6-15)19-14-22-7-8-24-19;;/h1-4,7-8,14-15,18,23H,5-6,9-13H2;2*1H
InChIKeyUUPAFJKDYNGKCA-UHFFFAOYSA-N
XLogP3.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylpiperazin-1-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride
CID 119473452
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120739774
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
[2-(2-chlorophenyl)piperazin-1-yl]-(4-methyl-3-pyridinyl)methanone
CID 120739700
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120738127
1-[3-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 120739391
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone;hydrochloride
CID 120739005
[2-(4-chlorophenyl)azepan-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 126769241
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride (CID 120739715) is [2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride is Cl.Cl.O=C(C1CCN(c2cnccn2)CC1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is UUPAFJKDYNGKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O.2ClH/c21-17-4-2-1-3-16(17)18-13-23-9-12-26(18)20(27)15-5-10-25(11-6-15)19-14-22-7-8-24-19;;/h1-4,7-8,14-15,18,23H,5-6,9-13H2;2*1H.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride?
[2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 458.82 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120739715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).