3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione

C11H13N3O2 — CID 66074326

IUPAC3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
SMILESCC1NCC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C11H13N3O2/c1-8-11(16)14(10(15)6-13-8)7-9-4-2-3-5-12-9/h2-5,8,13H,6-7H2,1H3
InChIKeyFJLYWFNHWPCDPZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.07
Rot. Bonds2

About 3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione

3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione (PubChem CID 66074326) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
PubChem CID66074326
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
SMILESCC1NCC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C11H13N3O2/c1-8-11(16)14(10(15)6-13-8)7-9-4-2-3-5-12-9/h2-5,8,13H,6-7H2,1H3
InChIKeyFJLYWFNHWPCDPZ-UHFFFAOYSA-N
XLogP-0.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.07
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-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
3-[(3-methyl-2,6-dioxopiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 66073552
3-methyl-1-(pyridin-2-ylmethyl)-1,4-diazocan-2-one
CID 117016241
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423586
3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
CID 66075288
3-ethyl-7-methyl-1-(pyridin-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64884616
6-amino-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423588
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 104794567
(3S)-3'-(pyridin-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 124590759
5-benzyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 110186788

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione (CID 66074326) is 3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione is CC1NCC(=O)N(Cc2ccccn2)C1=O.
What is the InChIKey of 3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione?
The InChIKey is FJLYWFNHWPCDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-11(16)14(10(15)6-13-8)7-9-4-2-3-5-12-9/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione?
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione has a molecular weight of 219.24 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 66074326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).