1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione

C11H19N3O2 — CID 106634067

IUPAC1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCC2CCCCN2)C1=O
InChIInChI=1S/C11H19N3O2/c1-14-10(15)6-9(11(14)16)13-7-8-4-2-3-5-12-8/h8-9,12-13H,2-7H2,1H3
InChIKeyCHXJWPKGSVNWJR-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.52
Rot. Bonds3

About 1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione

1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 106634067) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID106634067
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCC2CCCCN2)C1=O
InChIInChI=1S/C11H19N3O2/c1-14-10(15)6-9(11(14)16)13-7-8-4-2-3-5-12-8/h8-9,12-13H,2-7H2,1H3
InChIKeyCHXJWPKGSVNWJR-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-(pyrrolidin-2-ylmethylamino)piperidine-2,6-dione
CID 106638714
1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidin-2-one
CID 106252871
1-methyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106633123
ethane;N-methyl-1-piperidin-2-ylmethanamine
CID 144727857
N-(piperidin-2-ylmethyl)cyclooctanamine
CID 106632850
3-[(4,4-difluoro-5-oxooxolan-2-yl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 106492708
4-methyl-1-(2-piperidin-2-ylethyl)pyrrolidin-2-one
CID 63104430
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673
1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione
CID 63967065
3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
CID 107703458
2-methyl-5-(piperidin-2-ylmethylamino)isoindole-1,3-dione
CID 106632832
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione (CID 106634067) is 1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione is CN1C(=O)CC(NCC2CCCCN2)C1=O.
What is the InChIKey of 1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is CHXJWPKGSVNWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-14-10(15)6-9(11(14)16)13-7-8-4-2-3-5-12-8/h8-9,12-13H,2-7H2,1H3.
What are the key properties of 1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione?
1-methyl-3-(piperidin-2-ylmethylamino)pyrrolidine-2,5-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-(piperidin-2-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 106634067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).