3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione

C10H17N3O2 — CID 107358076

IUPAC3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCCC(N)C2)C1=O
InChIInChI=1S/C10H17N3O2/c1-12-9(14)5-8(10(12)15)13-4-2-3-7(11)6-13/h7-8H,2-6,11H2,1H3
InChIKeyAHTLIXOCPPBUKJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.83
Rot. Bonds1

About 3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione

3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione (PubChem CID 107358076) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione
PubChem CID107358076
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCCC(N)C2)C1=O
InChIInChI=1S/C10H17N3O2/c1-12-9(14)5-8(10(12)15)13-4-2-3-7(11)6-13/h7-8H,2-6,11H2,1H3
InChIKeyAHTLIXOCPPBUKJ-UHFFFAOYSA-N
XLogP-0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358170
2-[1-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperidin-3-yl]acetic acid
CID 62688735
3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358243
3-(1,4-diazepan-1-yl)-1-methylpyrrolidine-2,5-dione
CID 43635976
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358265
3-(3,4-dihydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358283
3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358260
3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358153
1-methyl-3-pyrrolidin-1-ylpiperidine-2,6-dione
CID 170067899
3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 4144237
(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 877553
1-cyclobutylpiperidin-3-amine
CID 63935163

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione (CID 107358076) is 3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(N2CCCC(N)C2)C1=O.
What is the InChIKey of 3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is AHTLIXOCPPBUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-12-9(14)5-8(10(12)15)13-4-2-3-7(11)6-13/h7-8H,2-6,11H2,1H3.
What are the key properties of 3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione?
3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopiperidin-1-yl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107358076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).