1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione

C14H24N2O2 — CID 3526406

IUPAC1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCN(C(=O)C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C14H24N2O2/c1-11-3-7-15(8-4-11)13(17)14(18)16-9-5-12(2)6-10-16/h11-12H,3-10H2,1-2H3
InChIKeyTYWXZRDRWCWGIP-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.50
Rot. Bonds

About 1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione

1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 3526406) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione
PubChem CID3526406
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCN(C(=O)C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C14H24N2O2/c1-11-3-7-15(8-4-11)13(17)14(18)16-9-5-12(2)6-10-16/h11-12H,3-10H2,1-2H3
InChIKeyTYWXZRDRWCWGIP-UHFFFAOYSA-N
XLogP1.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione (CID 3526406) is 1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione is CC1CCN(C(=O)C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is TYWXZRDRWCWGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-3-7-15(8-4-11)13(17)14(18)16-9-5-12(2)6-10-16/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione?
1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 252.36 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 3526406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).