2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C14H22N4O3 — CID 50956490

IUPAC2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(C(=O)CN3CCCCC3=O)CC12
InChIInChI=1S/C14H22N4O3/c19-12-3-1-2-5-17(12)10-13(20)18-8-7-16-6-4-15-14(21)11(16)9-18/h11H,1-10H2,(H,15,21)
InChIKeyLTPICVMIFKFDDZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP-1.36
Rot. Bonds2

About 2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 50956490) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID50956490
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(C(=O)CN3CCCCC3=O)CC12
InChIInChI=1S/C14H22N4O3/c19-12-3-1-2-5-17(12)10-13(20)18-8-7-16-6-4-15-14(21)11(16)9-18/h11H,1-10H2,(H,15,21)
InChIKeyLTPICVMIFKFDDZ-UHFFFAOYSA-N
XLogP-1.36
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Bis(piperidin-1-ylmethyl)piperazine-2,5-dione
CID 320052
(9aR)-2-(1-acetylpiperidine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 7156157
3-(1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl)piperidin-2-one
CID 127595707
2-(3-amino-5-fluoropiperidin-4-yl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 123557489
2-(3-Amino-5-fluoropiperidin-4-yl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 123645954
8-{[cyclopentyl(methyl)amino]acetyl}tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 50954739
N-cyclohexyl-2-(6,9-dioxooctahydro-2H-pyrazino[1,2-a]pyrazin-2-yl)-2-oxoacetamide
CID 50958455
2-methyl-8-piperidin-4-ylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50958892
N-methyl-4-(8-methyl-9-oxooctahydro-2H-pyrazino[1,2-a]pyrazin-2-yl)-4-oxobutanamide
CID 50971479
8-[(1-cyclopentylpiperidin-4-yl)carbonyl]hexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 56701117
(3S,9aR)-8-isobutyl-3-propyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 56854607
(3S,9aR)-8-(3-methylbutyl)-3-propyltetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4(3H,6H)-dione
CID 56854735

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 50956490) is 2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is O=C1NCCN2CCN(C(=O)CN3CCCCC3=O)CC12.
What is the InChIKey of 2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is LTPICVMIFKFDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c19-12-3-1-2-5-17(12)10-13(20)18-8-7-16-6-4-15-14(21)11(16)9-18/h11H,1-10H2,(H,15,21).
What are the key properties of 2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 294.35 g/mol, XLogP of -1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxopiperidin-1-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50956490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).