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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Related Compounds

2,2-dimethyl-1-(1-methylpyrrolidine-3-carbonyl)pyrrolidin-3-one
CID 115275141
(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 115276519
(3,3-dimethylpiperidin-1-yl)-(1-methylpiperidin-3-yl)methanone
CID 132649427
(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
CID 144942313
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
9-[(3R)-1-methylpyrrolidine-3-carbonyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97148800
1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97126721
(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 79867793
(3E,5E)-3,5-bis[(3,4-difluorophenyl)methylidene]-1-(1-methylpyrrolidine-3-carbonyl)piperidin-4-one
CID 139371808
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
2,8-diazaspiro[5.5]undecan-2-yl-(1-methylpyrrolidin-3-yl)methanone
CID 102849661

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).