7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C14H25N5O3 — CID 167265143

IUPAC7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCN1CCN(CNCN2CCN3C(=O)OCC3C2)CC1=O
InChIInChI=1S/C14H25N5O3/c1-2-18-5-3-17(8-13(18)20)11-15-10-16-4-6-19-12(7-16)9-22-14(19)21/h12,15H,2-11H2,1H3
InChIKeyOAXCXWRSGCNDPV-UHFFFAOYSA-N
MW311.39 g/mol
LogP-1.21
Rot. Bonds5

About 7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 167265143) has the molecular formula C14H25N5O3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID167265143
Molecular FormulaC14H25N5O3
Molecular Weight311.39 g/mol
Exact Mass311.20
IUPAC Name7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCN1CCN(CNCN2CCN3C(=O)OCC3C2)CC1=O
InChIInChI=1S/C14H25N5O3/c1-2-18-5-3-17(8-13(18)20)11-15-10-16-4-6-19-12(7-16)9-22-14(19)21/h12,15H,2-11H2,1H3
InChIKeyOAXCXWRSGCNDPV-UHFFFAOYSA-N
XLogP-1.21
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(methylamino)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 167062536
(8aS)-7-propan-2-yl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131632865
(8aS)-7-tert-butyl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 130438371
1-ethyl-4-(2-methylpropyl)piperazin-2-one
CID 117013553
(8aR)-7-(1-acetylpiperidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 77059094
(8aS)-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 131632861
7-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131901167
1-(cyclopropylmethyl)-4-ethylpiperazin-2-one
CID 170709327
7-(5-chloro-2-methylpyrimidin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 137340601
7-[[3-(2-ethyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyphenyl]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 170506304
(7S,8aS)-7-propyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 143875837
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188

Frequently Asked Questions

What is the IUPAC name of 7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 167265143) is 7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCN1CCN(CNCN2CCN3C(=O)OCC3C2)CC1=O.
What is the InChIKey of 7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is OAXCXWRSGCNDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3/c1-2-18-5-3-17(8-13(18)20)11-15-10-16-4-6-19-12(7-16)9-22-14(19)21/h12,15H,2-11H2,1H3.
What are the key properties of 7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 311.39 g/mol, XLogP of -1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(4-ethyl-3-oxopiperazin-1-yl)methylamino]methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 167265143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).