[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate

C16H28N2O3 — CID 175267914

IUPAC[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C)(N2CCC(=O)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-15(2,3)14(20)21-18-11-7-16(4,8-12-18)17-9-5-13(19)6-10-17/h5-12H2,1-4H3
InChIKeyNUNLNLWUAITOSE-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds2

About [4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 175267914) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is [4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID175267914
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(C)(N2CCC(=O)CC2)CC1
InChIInChI=1S/C16H28N2O3/c1-15(2,3)14(20)21-18-11-7-16(4,8-12-18)17-9-5-13(19)6-10-17/h5-12H2,1-4H3
InChIKeyNUNLNLWUAITOSE-UHFFFAOYSA-N
XLogP2.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-4-(4-oxopiperidin-1-yl)piperidine-1-carboxylic acid
CID 68631599
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
1-(4-methoxy-1-methylcyclohexyl)piperidin-4-one
CID 59419757
ethyl (3R)-3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
CID 97291667
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
[4-(iodomethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174751295
[4-(4-bromophenyl)-4-fluoropiperidin-1-yl] 2,2-dimethylpropanoate
CID 174601526
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
2-[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl]ethyl formate
CID 174619182
[4-[(2S)-1,2-dihydroxypropyl]-4-(hydroxymethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174972498
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174732113
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 175267914) is [4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(C)(N2CCC(=O)CC2)CC1.
What is the InChIKey of [4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is NUNLNLWUAITOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2,3)14(20)21-18-11-7-16(4,8-12-18)17-9-5-13(19)6-10-17/h5-12H2,1-4H3.
What are the key properties of [4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 296.41 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(4-oxopiperidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175267914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).