3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one

C15H28N2O2 — CID 103019657

IUPAC3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,19-3)11-14(18)17-10-4-5-13(17)12-6-8-16-9-7-12/h12-13,16H,4-11H2,1-3H3
InChIKeyGVHWLBLOEYNNEU-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About 3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one

3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one (PubChem CID 103019657) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one
PubChem CID103019657
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,19-3)11-14(18)17-10-4-5-13(17)12-6-8-16-9-7-12/h12-13,16H,4-11H2,1-3H3
InChIKeyGVHWLBLOEYNNEU-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)butan-1-one
CID 103019654
(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
2-amino-1-(2-piperidin-4-ylpiperidin-1-yl)ethanone
CID 173143766
3-phenyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]propan-1-one
CID 93394731
2-cyclohexyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]ethanone
CID 93394797
2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one
CID 103020598
tert-butyl 2-piperidin-4-ylazepane-1-carboxylate
CID 64612498
1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone
CID 115949324
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-diethyl-4-oxobutanoic acid
CID 102725623
3-methoxy-3-methyl-1-[(2S)-2-methylpiperazin-1-yl]butan-1-one
CID 103021646
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 102725627
1-(2-cyclopentylpyrrolidin-1-yl)-3-piperidin-4-yloxypropan-1-one
CID 63902985

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one (CID 103019657) is 3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one is COC(C)(C)CC(=O)N1CCCC1C1CCNCC1.
What is the InChIKey of 3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one?
The InChIKey is GVHWLBLOEYNNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,19-3)11-14(18)17-10-4-5-13(17)12-6-8-16-9-7-12/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one?
3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(2-piperidin-4-ylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 103019657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).