2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C14H23N3O2 — CID 116657200

IUPAC2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC1CCCN(C(=O)N2CCN3C(=O)CCC3C2)C1
InChIInChI=1S/C14H23N3O2/c1-11-3-2-6-15(9-11)14(19)16-7-8-17-12(10-16)4-5-13(17)18/h11-12H,2-10H2,1H3
InChIKeyYIFWFGDGRCYXNR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.14
Rot. Bonds

About 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 116657200) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID116657200
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC1CCCN(C(=O)N2CCN3C(=O)CCC3C2)C1
InChIInChI=1S/C14H23N3O2/c1-11-3-2-6-15(9-11)14(19)16-7-8-17-12(10-16)4-5-13(17)18/h11-12H,2-10H2,1H3
InChIKeyYIFWFGDGRCYXNR-UHFFFAOYSA-N
XLogP1.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

(3R)-1-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 82856685
2-acetyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 58166183
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
2-(bicyclo[3.1.0]hexane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863196
N-cyclopentyl-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carboxamide
CID 115870401
2-[(2S)-piperidine-2-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 104914557
2-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856256
2-[2-(3-methylpiperidin-2-yl)acetyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107147999
(E)-4-oxo-4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)but-2-enoic acid
CID 82857061
(2S,4S)-4-hydroxy-1-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 82856156
2-(3-amino-2-methylpropanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856716
4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)benzoic acid
CID 82856451

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 116657200) is 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC1CCCN(C(=O)N2CCN3C(=O)CCC3C2)C1.
What is the InChIKey of 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is YIFWFGDGRCYXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-3-2-6-15(9-11)14(19)16-7-8-17-12(10-16)4-5-13(17)18/h11-12H,2-10H2,1H3.
What are the key properties of 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidine-1-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 116657200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).