5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one

C10H15N3O2 — CID 107437768

IUPAC5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one
SMILESO=C1CNC(C(=O)N2CC=CCC2)CN1
InChIInChI=1S/C10H15N3O2/c14-9-7-11-8(6-12-9)10(15)13-4-2-1-3-5-13/h1-2,8,11H,3-7H2,(H,12,14)
InChIKeyUCTSEFDLDAARRY-UHFFFAOYSA-N
MW209.25 g/mol
LogP-1.14
Rot. Bonds1

About 5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one

5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one (PubChem CID 107437768) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one
PubChem CID107437768
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one
SMILESO=C1CNC(C(=O)N2CC=CCC2)CN1
InChIInChI=1S/C10H15N3O2/c14-9-7-11-8(6-12-9)10(15)13-4-2-1-3-5-13/h1-2,8,11H,3-7H2,(H,12,14)
InChIKeyUCTSEFDLDAARRY-UHFFFAOYSA-N
XLogP-1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(azetidine-1-carbonyl)piperazin-2-one
CID 126980518
1-(5-oxopiperazine-2-carbonyl)pyrrolidine-3-carboxamide
CID 114081877
5-(3-piperidin-1-ylpyrrolidine-1-carbonyl)piperazin-2-one
CID 107436462
3,6-dihydro-2H-pyridin-1-yl-[(2R)-piperidin-2-yl]methanone
CID 104921213
methyl 2-[4-(5-oxopiperazine-2-carbonyl)piperazin-1-yl]acetate
CID 107435401
2-methyl-N-[1-(5-oxopiperazine-2-carbonyl)piperidin-4-yl]propanamide
CID 107435207
5-(4-tert-butylazepane-1-carbonyl)piperazin-2-one
CID 107436688
3-[1-(5-oxopiperazine-2-carbonyl)piperidin-3-yl]butanoic acid
CID 107437161
5-(2,3,5-trimethylpiperidine-1-carbonyl)piperazin-2-one
CID 107437791
5-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperazin-2-one
CID 107435155
3-ethyl-1-(5-oxopiperazine-2-carbonyl)piperidine-3-carboxylic acid
CID 107436436
3-(3,6-dihydro-2H-pyridine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 166178290

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one?
The IUPAC name of 5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one (CID 107437768) is 5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one?
The canonical SMILES for 5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one is O=C1CNC(C(=O)N2CC=CCC2)CN1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one?
The InChIKey is UCTSEFDLDAARRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-9-7-11-8(6-12-9)10(15)13-4-2-1-3-5-13/h1-2,8,11H,3-7H2,(H,12,14).
What are the key properties of 5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one?
5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one has a molecular weight of 209.25 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyridine-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 107437768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).