1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone

C13H24N2O — CID 115740592

IUPAC1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
SMILESCC1CC(C)N(C(=O)CC2CCNCC2)C1
InChIInChI=1S/C13H24N2O/c1-10-7-11(2)15(9-10)13(16)8-12-3-5-14-6-4-12/h10-12,14H,3-9H2,1-2H3
InChIKeyRCWWYESTNOMIAW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds2

About 1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone

1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone (PubChem CID 115740592) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
PubChem CID115740592
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
SMILESCC1CC(C)N(C(=O)CC2CCNCC2)C1
InChIInChI=1S/C13H24N2O/c1-10-7-11(2)15(9-10)13(16)8-12-3-5-14-6-4-12/h10-12,14H,3-9H2,1-2H3
InChIKeyRCWWYESTNOMIAW-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-piperidin-4-ylethanone
CID 129375093
1-[2-(2-fluorophenyl)-4-methylpyrrolidin-1-yl]-2-piperidin-4-ylethanone;hydrochloride
CID 119793828
CID 23519376
CID 23519376
1-(2,6-dimethylmorpholin-4-yl)-2-piperidin-4-ylethanone
CID 24711054
(2S,4R)-2,4-dimethylpyrrolidine-1-carbonyl chloride
CID 53471285
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 119886406
1-[3-(hydroxymethyl)azetidin-1-yl]-2-piperidin-4-ylethanone
CID 107220425
2-piperidin-4-ylsulfanyl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114628152
4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63719518
1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
CID 60974700
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394622
1-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-2-piperidin-4-ylethanone
CID 129394621

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone (CID 115740592) is 1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone is CC1CC(C)N(C(=O)CC2CCNCC2)C1.
What is the InChIKey of 1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone?
The InChIKey is RCWWYESTNOMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-7-11(2)15(9-10)13(16)8-12-3-5-14-6-4-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone?
1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 115740592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).