3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione

C12H19N3O2 — CID 82852801

IUPAC3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione
SMILESO=C1CCC(NC2CCN3CCCC23)C(=O)N1
InChIInChI=1S/C12H19N3O2/c16-11-4-3-9(12(17)14-11)13-8-5-7-15-6-1-2-10(8)15/h8-10,13H,1-7H2,(H,14,16,17)
InChIKeyWCTAXRCYABPELT-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.38
Rot. Bonds2

About 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione

3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione (PubChem CID 82852801) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione
PubChem CID82852801
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione
SMILESO=C1CCC(NC2CCN3CCCC23)C(=O)N1
InChIInChI=1S/C12H19N3O2/c16-11-4-3-9(12(17)14-11)13-8-5-7-15-6-1-2-10(8)15/h8-10,13H,1-7H2,(H,14,16,17)
InChIKeyWCTAXRCYABPELT-UHFFFAOYSA-N
XLogP-0.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione with MolForge

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Related Compounds

3-[[(1S,2S)-2-hydroxycyclohexyl]amino]piperidine-2,6-dione
CID 102731368
3-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]amino]piperidine-2,6-dione
CID 166117554
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)azepan-2-one
CID 63905423
N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848
3-[(2-piperidin-2-ylcyclohexyl)amino]piperidine-2,6-dione
CID 79540257
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102773366
3-[(3-aminocyclobutyl)amino]piperidine-2,6-dione
CID 80562122
6-bromo-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1,3-dihydroindol-2-one
CID 43752306
1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one
CID 105438896
3-[(1-phenylpiperidin-4-yl)amino]piperidine-2,6-dione
CID 106820358
N-cyclooctyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694307
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)formamide
CID 64992652

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione?
The IUPAC name of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione (CID 82852801) is 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione.
What is the SMILES notation for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione?
The canonical SMILES for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione is O=C1CCC(NC2CCN3CCCC23)C(=O)N1.
What is the InChIKey of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione?
The InChIKey is WCTAXRCYABPELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11-4-3-9(12(17)14-11)13-8-5-7-15-6-1-2-10(8)15/h8-10,13H,1-7H2,(H,14,16,17).
What are the key properties of 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione?
3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione has a molecular weight of 237.30 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-2,6-dione is sourced from PubChem (CID 82852801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).