1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione

C14H23N3O2 — CID 166269992

IUPAC1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCC1CN(C(=O)C(=O)N2C3CCC2(C)CC3)CCN1
InChIInChI=1S/C14H23N3O2/c1-10-9-16(8-7-15-10)12(18)13(19)17-11-3-5-14(17,2)6-4-11/h10-11,15H,3-9H2,1-2H3
InChIKeyBAKDZYWZWBRGRJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.35
Rot. Bonds

About 1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione

1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 166269992) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione
PubChem CID166269992
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione
SMILESCC1CN(C(=O)C(=O)N2C3CCC2(C)CC3)CCN1
InChIInChI=1S/C14H23N3O2/c1-10-9-16(8-7-15-10)12(18)13(19)17-11-3-5-14(17,2)6-4-11/h10-11,15H,3-9H2,1-2H3
InChIKeyBAKDZYWZWBRGRJ-UHFFFAOYSA-N
XLogP0.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione (CID 166269992) is 1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione is CC1CN(C(=O)C(=O)N2C3CCC2(C)CC3)CCN1.
What is the InChIKey of 1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is BAKDZYWZWBRGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-9-16(8-7-15-10)12(18)13(19)17-11-3-5-14(17,2)6-4-11/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione?
1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 265.36 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-methylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 166269992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).