oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C13H18N4O2 — CID 42909611

IUPACoxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H18N4O2/c18-13(11-2-1-9-19-11)17-7-5-16(6-8-17)12-10-14-3-4-15-12/h3-4,10-11H,1-2,5-9H2
InChIKeyKVIRHLFPSIIWPM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.30
Rot. Bonds2

About oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone

oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 42909611) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameoxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID42909611
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Nameoxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H18N4O2/c18-13(11-2-1-9-19-11)17-7-5-16(6-8-17)12-10-14-3-4-15-12/h3-4,10-11H,1-2,5-9H2
InChIKeyKVIRHLFPSIIWPM-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethoxy-N-[1-(oxolane-2-carbonyl)piperidin-4-YL]pyrazin-2-amine
CID 87052998
N,N-dimethyl-2-[(8-pyrazin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
CID 118742880
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(oxolan-2-yl)methanone
CID 127023631
N-[1-(Oxolane-2-carbonyl)piperidin-4-YL]-3-propoxypyrazin-2-amine
CID 87053021
3-Methoxy-N-[1-(oxolane-2-carbonyl)piperidin-4-YL]pyrazin-2-amine
CID 53185556
[4-(6-Chloropyrazin-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 56804298
[(5R)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 97502462
[(5S)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 97502463
(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2R)-oxolan-2-yl]methanone
CID 131652611
(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)-[(2S)-oxolan-2-yl]methanone
CID 133137539
2-(4,4-Difluoropiperidine-1-carbonyl)-4-(pyrazin-2-yl)morpholine
CID 163349113
N-(oxolan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 5171167

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 42909611) is oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone is O=C(C1CCCO1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KVIRHLFPSIIWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-13(11-2-1-9-19-11)17-7-5-16(6-8-17)12-10-14-3-4-15-12/h3-4,10-11H,1-2,5-9H2.
What are the key properties of oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 42909611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).