4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one

C13H22N2O2 — CID 115276800

IUPAC4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one
SMILESCN1CCC(C(=O)N2CCC(C)(C)C(=O)C2)C1
InChIInChI=1S/C13H22N2O2/c1-13(2)5-7-15(9-11(13)16)12(17)10-4-6-14(3)8-10/h10H,4-9H2,1-3H3
InChIKeyCUHAXXGXMOFLDT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds1

About 4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one

4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one (PubChem CID 115276800) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one
PubChem CID115276800
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one
SMILESCN1CCC(C(=O)N2CCC(C)(C)C(=O)C2)C1
InChIInChI=1S/C13H22N2O2/c1-13(2)5-7-15(9-11(13)16)12(17)10-4-6-14(3)8-10/h10H,4-9H2,1-3H3
InChIKeyCUHAXXGXMOFLDT-UHFFFAOYSA-N
XLogP0.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one?
The IUPAC name of 4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one (CID 115276800) is 4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one.
What is the SMILES notation for 4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one?
The canonical SMILES for 4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one is CN1CCC(C(=O)N2CCC(C)(C)C(=O)C2)C1.
What is the InChIKey of 4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one?
The InChIKey is CUHAXXGXMOFLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2)5-7-15(9-11(13)16)12(17)10-4-6-14(3)8-10/h10H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one?
4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one has a molecular weight of 238.33 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)piperidin-3-one is sourced from PubChem (CID 115276800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).