morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride

C13H21Cl2N5O2 — CID 119854081

IUPACmorpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1COCCN1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H19N5O2.2ClH/c19-13(11-10-20-8-3-15-11)18-6-4-17(5-7-18)12-9-14-1-2-16-12;;/h1-2,9,11,15H,3-8,10H2;2*1H
InChIKeyRIESXAJHUKIVKH-UHFFFAOYSA-N
MW350.25 g/mol
LogP-0.04
Rot. Bonds2

About morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride

morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119854081) has the molecular formula C13H21Cl2N5O2 and a molecular weight of 350.25 g/mol. Its IUPAC name is morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Namemorpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119854081
Molecular FormulaC13H21Cl2N5O2
Molecular Weight350.25 g/mol
Exact Mass349.11
IUPAC Namemorpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1COCCN1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H19N5O2.2ClH/c19-13(11-10-20-8-3-15-11)18-6-4-17(5-7-18)12-9-14-1-2-16-12;;/h1-2,9,11,15H,3-8,10H2;2*1H
InChIKeyRIESXAJHUKIVKH-UHFFFAOYSA-N
XLogP-0.04
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S)-2-methylmorpholin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120939440
morpholin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 119863934
[(3R)-morpholin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 130992240
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120632592
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119829383
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119887859
morpholin-4-yl-(1-pyrazin-2-ylazetidin-3-yl)methanone
CID 163352710
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119743440
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-morpholin-3-ylmethanone;hydrochloride
CID 119710339
1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride
CID 119875990
morpholin-3-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 119897502
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 94014553

Frequently Asked Questions

What is the IUPAC name of morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride (CID 119854081) is morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride is Cl.Cl.O=C(C1COCCN1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is RIESXAJHUKIVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2.2ClH/c19-13(11-10-20-8-3-15-11)18-6-4-17(5-7-18)12-9-14-1-2-16-12;;/h1-2,9,11,15H,3-8,10H2;2*1H.
What are the key properties of morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride?
morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 350.25 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-3-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119854081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).