3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione

C13H23N3O2 — CID 114015239

IUPAC3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
SMILESCC1NCC(=O)N(CCC2CCCCN2C)C1=O
InChIInChI=1S/C13H23N3O2/c1-10-13(18)16(12(17)9-14-10)8-6-11-5-3-4-7-15(11)2/h10-11,14H,3-9H2,1-2H3
InChIKeyFURBCVPRDXAXFC-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.21
Rot. Bonds3

About 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione

3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione (PubChem CID 114015239) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
PubChem CID114015239
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
SMILESCC1NCC(=O)N(CCC2CCCCN2C)C1=O
InChIInChI=1S/C13H23N3O2/c1-10-13(18)16(12(17)9-14-10)8-6-11-5-3-4-7-15(11)2/h10-11,14H,3-9H2,1-2H3
InChIKeyFURBCVPRDXAXFC-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.21
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

1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 107913495
3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one
CID 115101940
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,6-dione
CID 66076059
(5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 97027345
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,6-dione
CID 112591354
1-[2-(diethylamino)ethyl]-3-methylpiperazine-2,6-dione
CID 66075679
3-[(1-methylpiperidin-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83247955
3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one
CID 114015237
6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one
CID 97206499
6-amino-4-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-benzoxazin-3-one
CID 107912116
3-methyl-1-(2-methylpropyl)piperazine-2,6-dione
CID 66075671
3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,6-dione
CID 66074319

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione (CID 114015239) is 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione is CC1NCC(=O)N(CCC2CCCCN2C)C1=O.
What is the InChIKey of 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione?
The InChIKey is FURBCVPRDXAXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10-13(18)16(12(17)9-14-10)8-6-11-5-3-4-7-15(11)2/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione?
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione has a molecular weight of 253.35 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 114015239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).