3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

C13H17N3O2 — CID 110876473

IUPAC3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NC(C(=O)N2CCCCC2)Cn2cccc21
InChIInChI=1S/C13H17N3O2/c17-12-11-5-4-8-16(11)9-10(14-12)13(18)15-6-2-1-3-7-15/h4-5,8,10H,1-3,6-7,9H2,(H,14,17)
InChIKeyFGRNXZGXOIGWGL-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.61
Rot. Bonds1

About 3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 110876473) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
PubChem CID110876473
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
SMILESO=C1NC(C(=O)N2CCCCC2)Cn2cccc21
InChIInChI=1S/C13H17N3O2/c17-12-11-5-4-8-16(11)9-10(14-12)13(18)15-6-2-1-3-7-15/h4-5,8,10H,1-3,6-7,9H2,(H,14,17)
InChIKeyFGRNXZGXOIGWGL-UHFFFAOYSA-N
XLogP0.61
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 91919657
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(piperidin-1-yl)methanone
CID 24693158
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(3S)-3-(piperidine-1-carbonyl)-1,4-thiazepan-5-one
CID 95986299
2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione
CID 1122069
1-(2,3-dihydro-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 76892627

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one (CID 110876473) is 3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is O=C1NC(C(=O)N2CCCCC2)Cn2cccc21.
What is the InChIKey of 3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is FGRNXZGXOIGWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12-11-5-4-8-16(11)9-10(14-12)13(18)15-6-2-1-3-7-15/h4-5,8,10H,1-3,6-7,9H2,(H,14,17).
What are the key properties of 3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one?
3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 247.30 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 110876473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).