3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one

C12H23N3O — CID 115101940

IUPAC3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one
SMILESCC1NCCN(CC2CCCCN2C)C1=O
InChIInChI=1S/C12H23N3O/c1-10-12(16)15(8-6-13-10)9-11-5-3-4-7-14(11)2/h10-11,13H,3-9H2,1-2H3
InChIKeyGZSBMAGHBYMJAU-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds2

About 3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one

3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one (PubChem CID 115101940) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one
PubChem CID115101940
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one
SMILESCC1NCCN(CC2CCCCN2C)C1=O
InChIInChI=1S/C12H23N3O/c1-10-12(16)15(8-6-13-10)9-11-5-3-4-7-14(11)2/h10-11,13H,3-9H2,1-2H3
InChIKeyGZSBMAGHBYMJAU-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-methylpyrrolidin-2-yl)methyl]-1,4-diazepan-5-one
CID 115100457
1-(2-ethylsulfonylethyl)-3-methylpiperazin-2-one
CID 106729384
3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 64951928
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
CID 114015239
1-(3-methoxypropyl)-3-methylpiperazin-2-one
CID 63608171
3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one
CID 115102147
1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one
CID 65097276
5-methyl-3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247451
3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
CID 115102053
3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one
CID 114015237
1-ethyl-3-methyl-1,4-diazocan-2-one
CID 117016221
3-methyl-1-nonylpiperazin-2-one
CID 63608174

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one?
The IUPAC name of 3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one (CID 115101940) is 3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one is CC1NCCN(CC2CCCCN2C)C1=O.
What is the InChIKey of 3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one?
The InChIKey is GZSBMAGHBYMJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-12(16)15(8-6-13-10)9-11-5-3-4-7-14(11)2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one?
3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one has a molecular weight of 225.34 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 115101940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).