1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione

C17H31N3O2 — CID 108522373

IUPAC1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCN(C(=O)C(=O)N2C(C)(C)CC(N)CC2(C)C)C1
InChIInChI=1S/C17H31N3O2/c1-12-7-6-8-19(11-12)14(21)15(22)20-16(2,3)9-13(18)10-17(20,4)5/h12-13H,6-11,18H2,1-5H3
InChIKeyRWBXIQAPCSDQEA-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.75
Rot. Bonds

About 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione

1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 108522373) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
PubChem CID108522373
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCCN(C(=O)C(=O)N2C(C)(C)CC(N)CC2(C)C)C1
InChIInChI=1S/C17H31N3O2/c1-12-7-6-8-19(11-12)14(21)15(22)20-16(2,3)9-13(18)10-17(20,4)5/h12-13H,6-11,18H2,1-5H3
InChIKeyRWBXIQAPCSDQEA-UHFFFAOYSA-N
XLogP1.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 108520535
3-methylpiperidine-1-carboxamide
CID 16786142
methyl 2-(3-methylpiperidin-1-yl)-2-oxoacetate
CID 75480937
3-methylpiperidine-1-carboxylic acid
CID 22047728
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
(4-amino-2-methylcyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 62777923
(1-cyanocyclobutyl) 2-(3-methylpiperidin-1-yl)-2-oxoacetate
CID 119038616
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
2-bromoethyl 3-methylpiperidine-1-carboxylate
CID 103970529

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione (CID 108522373) is 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione is CC1CCCN(C(=O)C(=O)N2C(C)(C)CC(N)CC2(C)C)C1.
What is the InChIKey of 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is RWBXIQAPCSDQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12-7-6-8-19(11-12)14(21)15(22)20-16(2,3)9-13(18)10-17(20,4)5/h12-13H,6-11,18H2,1-5H3.
What are the key properties of 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione?
1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 309.45 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 108522373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).