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

C18H30N4O2 — CID 56701117

IUPAC2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(C(=O)C3CCN(C4CCCC4)CC3)CC12
InChIInChI=1S/C18H30N4O2/c23-17-16-13-22(12-11-21(16)10-7-19-17)18(24)14-5-8-20(9-6-14)15-3-1-2-4-15/h14-16H,1-13H2,(H,19,23)
InChIKeyZOESVOIGJQGIMQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP0.28
Rot. Bonds2

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

2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 56701117) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID56701117
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(C(=O)C3CCN(C4CCCC4)CC3)CC12
InChIInChI=1S/C18H30N4O2/c23-17-16-13-22(12-11-21(16)10-7-19-17)18(24)14-5-8-20(9-6-14)15-3-1-2-4-15/h14-16H,1-13H2,(H,19,23)
InChIKeyZOESVOIGJQGIMQ-UHFFFAOYSA-N
XLogP0.28
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 56701117) is 2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is O=C1NCCN2CCN(C(=O)C3CCN(C4CCCC4)CC3)CC12.
What is the InChIKey of 2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is ZOESVOIGJQGIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c23-17-16-13-22(12-11-21(16)10-7-19-17)18(24)14-5-8-20(9-6-14)15-3-1-2-4-15/h14-16H,1-13H2,(H,19,23).
What are the key properties of 2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 334.46 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpiperidine-4-carbonyl)-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 56701117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).