1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione

C15H26N2O2 — CID 108520535

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCN(C(=O)C(=O)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C15H26N2O2/c1-11-5-4-6-16(8-11)14(18)15(19)17-9-12(2)7-13(3)10-17/h11-13H,4-10H2,1-3H3
InChIKeyXRXNIEVHSRCGMC-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.75
Rot. Bonds

About 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione

1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 108520535) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
PubChem CID108520535
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCN(C(=O)C(=O)N2CC(C)CC(C)C2)C1
InChIInChI=1S/C15H26N2O2/c1-11-5-4-6-16(8-11)14(18)15(19)17-9-12(2)7-13(3)10-17/h11-13H,4-10H2,1-3H3
InChIKeyXRXNIEVHSRCGMC-UHFFFAOYSA-N
XLogP1.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione with MolForge

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Related Compounds

methyl 2-(3-methylpiperidin-1-yl)-2-oxoacetate
CID 75480937
3-methylpiperidine-1-carboxylic acid
CID 22047728
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
3-methylpiperidine-1-carboxamide
CID 16786142
1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108522373
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82812943
2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 62836548
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione (CID 108520535) is 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione is CC1CCCN(C(=O)C(=O)N2CC(C)CC(C)C2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is XRXNIEVHSRCGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11-5-4-6-16(8-11)14(18)15(19)17-9-12(2)7-13(3)10-17/h11-13H,4-10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 266.38 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 108520535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).