1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione

C20H32N4O2 — CID 130457406

IUPAC1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione
SMILESCc1cnc(C2C(C)CCN2C(=O)C(=O)N2C(C)(C)CCCC2(C)C)[nH]1
InChIInChI=1S/C20H32N4O2/c1-13-8-11-23(15(13)16-21-12-14(2)22-16)17(25)18(26)24-19(3,4)9-7-10-20(24,5)6/h12-13,15H,7-11H2,1-6H3,(H,21,22)
InChIKeyLXTLHXSPEPZQCY-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.20
Rot. Bonds1

About 1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione

1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 130457406) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione
PubChem CID130457406
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione
SMILESCc1cnc(C2C(C)CCN2C(=O)C(=O)N2C(C)(C)CCCC2(C)C)[nH]1
InChIInChI=1S/C20H32N4O2/c1-13-8-11-23(15(13)16-21-12-14(2)22-16)17(25)18(26)24-19(3,4)9-7-10-20(24,5)6/h12-13,15H,7-11H2,1-6H3,(H,21,22)
InChIKeyLXTLHXSPEPZQCY-UHFFFAOYSA-N
XLogP3.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.20
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-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione (CID 130457406) is 1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione is Cc1cnc(C2C(C)CCN2C(=O)C(=O)N2C(C)(C)CCCC2(C)C)[nH]1.
What is the InChIKey of 1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is LXTLHXSPEPZQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-13-8-11-23(15(13)16-21-12-14(2)22-16)17(25)18(26)24-19(3,4)9-7-10-20(24,5)6/h12-13,15H,7-11H2,1-6H3,(H,21,22).
What are the key properties of 1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione?
1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 360.50 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2,2,6,6-tetramethylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 130457406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).