3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one

C13H19N5O2 — CID 114570910

IUPAC3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one
SMILESO=C(C1CCCN1c1ncc[nH]c1=O)N1CCNCC1
InChIInChI=1S/C13H19N5O2/c19-12-11(15-3-4-16-12)18-7-1-2-10(18)13(20)17-8-5-14-6-9-17/h3-4,10,14H,1-2,5-9H2,(H,16,19)
InChIKeyWCFLKEJZGUTNKG-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.83
Rot. Bonds2

About 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one

3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one (PubChem CID 114570910) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one
PubChem CID114570910
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one
SMILESO=C(C1CCCN1c1ncc[nH]c1=O)N1CCNCC1
InChIInChI=1S/C13H19N5O2/c19-12-11(15-3-4-16-12)18-7-1-2-10(18)13(20)17-8-5-14-6-9-17/h3-4,10,14H,1-2,5-9H2,(H,16,19)
InChIKeyWCFLKEJZGUTNKG-UHFFFAOYSA-N
XLogP-0.83
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Aminopiperidin-1-yl)-1-ethyl-1,2-dihydropyrazin-2-one
CID 62939070
3-(3-Aminopiperidin-1-yl)-1,2-dihydropyrazin-2-one dihydrochloride
CID 86811806
(3S)-1-(4-cyclopropyl-3-oxopyrazin-2-yl)-N-ethylpiperidine-3-carboxamide
CID 97259562
3-(3-aminopiperidin-1-yl)pyrazin-2(1H)-one
CID 86811807
3-[4-(4,4-Difluoropyrrolidine-2-carbonyl)piperazin-1-yl]-1-methylpyrazin-2-one;dihydrochloride
CID 120352541
3-[4-(4,4-Difluoropyrrolidine-2-carbonyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 120352542
2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one
CID 71212254
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1H-pyrazin-2-one
CID 46743255
3-[(1-Ethylpiperidin-4-yl)amino]-1-methylpyrazin-2-one
CID 55130789
3-[4-(Ethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 55131171
3-[(1-Ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one
CID 55132923
3-[2-(Methylaminomethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 55139442

Frequently Asked Questions

What is the IUPAC name of 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one (CID 114570910) is 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one is O=C(C1CCCN1c1ncc[nH]c1=O)N1CCNCC1.
What is the InChIKey of 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is WCFLKEJZGUTNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-12-11(15-3-4-16-12)18-7-1-2-10(18)13(20)17-8-5-14-6-9-17/h3-4,10,14H,1-2,5-9H2,(H,16,19).
What are the key properties of 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one?
3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 277.33 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 114570910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).