5-(azetidine-1-carbonyl)piperazin-2-one

C8H13N3O2 — CID 126980518

IUPAC5-(azetidine-1-carbonyl)piperazin-2-one
SMILESO=C1CNC(C(=O)N2CCC2)CN1
InChIInChI=1S/C8H13N3O2/c12-7-5-9-6(4-10-7)8(13)11-2-1-3-11/h6,9H,1-5H2,(H,10,12)
InChIKeyJLRPJOAYQFRNJB-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.69
Rot. Bonds1

About 5-(azetidine-1-carbonyl)piperazin-2-one

5-(azetidine-1-carbonyl)piperazin-2-one (PubChem CID 126980518) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(azetidine-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name5-(azetidine-1-carbonyl)piperazin-2-one
PubChem CID126980518
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-(azetidine-1-carbonyl)piperazin-2-one
SMILESO=C1CNC(C(=O)N2CCC2)CN1
InChIInChI=1S/C8H13N3O2/c12-7-5-9-6(4-10-7)8(13)11-2-1-3-11/h6,9H,1-5H2,(H,10,12)
InChIKeyJLRPJOAYQFRNJB-UHFFFAOYSA-N
XLogP-1.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one
CID 107436688
5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one
CID 107437768
methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate
CID 107435401
5-(3-piperidin-1-ylpyrrolidine-1-carbonyl)piperazin-2-one
CID 107436462
2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide
CID 107435207
1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 114081877
3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid
CID 107436436
3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid
CID 107437161
5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one
CID 107435155
5-(2,3,5-trimethylpiperidine-1-carbonyl)piperazin-2-one
CID 107437791
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735

Frequently Asked Questions

What is the IUPAC name of 5-(azetidine-1-carbonyl)piperazin-2-one?
The IUPAC name of 5-(azetidine-1-carbonyl)piperazin-2-one (CID 126980518) is 5-(azetidine-1-carbonyl)piperazin-2-one.
What is the SMILES notation for 5-(azetidine-1-carbonyl)piperazin-2-one?
The canonical SMILES for 5-(azetidine-1-carbonyl)piperazin-2-one is O=C1CNC(C(=O)N2CCC2)CN1.
What is the InChIKey of 5-(azetidine-1-carbonyl)piperazin-2-one?
The InChIKey is JLRPJOAYQFRNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c12-7-5-9-6(4-10-7)8(13)11-2-1-3-11/h6,9H,1-5H2,(H,10,12).
What are the key properties of 5-(azetidine-1-carbonyl)piperazin-2-one?
5-(azetidine-1-carbonyl)piperazin-2-one has a molecular weight of 183.21 g/mol, XLogP of -1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidine-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 126980518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).