1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione

C11H19N3O2 — CID 106638714

IUPAC1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione
SMILESCN1C(=O)CCC(NCC2CCCN2)C1=O
InChIInChI=1S/C11H19N3O2/c1-14-10(15)5-4-9(11(14)16)13-7-8-3-2-6-12-8/h8-9,12-13H,2-7H2,1H3
InChIKeyJVLQBSMOFFARNE-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.52
Rot. Bonds3

About 1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione

1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione (PubChem CID 106638714) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione
PubChem CID106638714
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione
SMILESCN1C(=O)CCC(NCC2CCCN2)C1=O
InChIInChI=1S/C11H19N3O2/c1-14-10(15)5-4-9(11(14)16)13-7-8-3-2-6-12-8/h8-9,12-13H,2-7H2,1H3
InChIKeyJVLQBSMOFFARNE-UHFFFAOYSA-N
XLogP-0.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione
CID 106634067
1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidin-2-one
CID 106252871
1-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]piperidine-2,6-dione
CID 79544299
N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide
CID 107529602
3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 114493300
3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid
CID 103255545
methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
CID 79624186
1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 128915358
4-ethyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)piperidine-2-carboxamide
CID 114429205
3-[[4-(difluoromethyl)phenyl]methylamino]-1-methylpiperidine-2,6-dione
CID 115524066
1-(1-methylpyrrolidin-2-yl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234833
1-methyl-3-(pyrrolidin-2-ylmethyl)pyrrolidin-2-one
CID 142209775

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione (CID 106638714) is 1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione is CN1C(=O)CCC(NCC2CCCN2)C1=O.
What is the InChIKey of 1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione?
The InChIKey is JVLQBSMOFFARNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-14-10(15)5-4-9(11(14)16)13-7-8-3-2-6-12-8/h8-9,12-13H,2-7H2,1H3.
What are the key properties of 1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione?
1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione has a molecular weight of 225.29 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione is sourced from PubChem (CID 106638714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).