1-methylpiperidine-2,5-dione

C6H9NO2 — CID 45087316

IUPAC1-methylpiperidine-2,5-dione
SMILESCN1CC(=O)CCC1=O
InChIInChI=1S/C6H9NO2/c1-7-4-5(8)2-3-6(7)9/h2-4H2,1H3
InChIKeyCESFOYQRKATOPJ-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.19
Rot. Bonds

About 1-methylpiperidine-2,5-dione

1-methylpiperidine-2,5-dione (PubChem CID 45087316) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 1-methylpiperidine-2,5-dione.

Molecular Properties

Compound Name1-methylpiperidine-2,5-dione
PubChem CID45087316
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name1-methylpiperidine-2,5-dione
SMILESCN1CC(=O)CCC1=O
InChIInChI=1S/C6H9NO2/c1-7-4-5(8)2-3-6(7)9/h2-4H2,1H3
InChIKeyCESFOYQRKATOPJ-UHFFFAOYSA-N
XLogP-0.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethylpiperidine-2,4-dione
CID 13784119
1-Methyl-2,4-piperidinedione
CID 19898279
1,2-Propanedione, 1-(1-piperidinyl)-
CID 13011877
1-(Prop-2-yn-1-yl)piperidine-2,5-dione
CID 138040412
1-Piperidin-1-ylbutane-1,2,3-trione
CID 85674386
1-Piperidin-1-ylbutane-1,2-dione
CID 11041123
1-(2-Oxopropyl)piperidin-2-one
CID 22598396
1-Acetylpiperidin-3-one
CID 12316088
1-Acetyl-6-methyl-3-piperidinone
CID 551001
1-Butylpiperidine-2,3-dione
CID 21680935
1-(3-Oxobutyl)piperidin-2-one
CID 62023557
1-(2-Oxopentan-3-yl)piperidin-2-one
CID 11423965

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine-2,5-dione?
The IUPAC name of 1-methylpiperidine-2,5-dione (CID 45087316) is 1-methylpiperidine-2,5-dione.
What is the SMILES notation for 1-methylpiperidine-2,5-dione?
The canonical SMILES for 1-methylpiperidine-2,5-dione is CN1CC(=O)CCC1=O.
What is the InChIKey of 1-methylpiperidine-2,5-dione?
The InChIKey is CESFOYQRKATOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-7-4-5(8)2-3-6(7)9/h2-4H2,1H3.
What are the key properties of 1-methylpiperidine-2,5-dione?
1-methylpiperidine-2,5-dione has a molecular weight of 127.14 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine-2,5-dione is sourced from PubChem (CID 45087316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).