2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate

C14H25NO3 — CID 102564061

IUPAC2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate
SMILESCC(CC(=O)OCC(C)(C)C)N1CCCCC1=O
InChIInChI=1S/C14H25NO3/c1-11(15-8-6-5-7-12(15)16)9-13(17)18-10-14(2,3)4/h11H,5-10H2,1-4H3
InChIKeySAMGQFUQMGCTPO-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds4

About 2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate

2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate (PubChem CID 102564061) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate.

Molecular Properties

Compound Name2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate
PubChem CID102564061
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate
SMILESCC(CC(=O)OCC(C)(C)C)N1CCCCC1=O
InChIInChI=1S/C14H25NO3/c1-11(15-8-6-5-7-12(15)16)9-13(17)18-10-14(2,3)4/h11H,5-10H2,1-4H3
InChIKeySAMGQFUQMGCTPO-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropyl (3S)-3-(2-oxopiperidin-1-yl)butanoate
CID 99802681
(5-methyl-1H-1,2,4-triazol-3-yl)methyl (3S)-3-(2-oxopiperidin-1-yl)butanoate
CID 100667487
1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
1-(4-oxo-4-piperazin-1-ylbutan-2-yl)pyrrolidin-2-one
CID 82511193
2-[4-(2-oxopyrrolidin-1-yl)pentanoyloxy]ethyl 5-(2-oxopyrrolidin-1-yl)hexanoate
CID 118547320
2-(2-oxoazepan-1-yl)propanoic acid
CID 23005468
5-(2-oxopiperidin-1-yl)hexanoic acid
CID 82847597
ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
CID 22436158
methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 143300675
1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
2,2-dimethylpropyl 2-oxopiperidine-1-carboximidate
CID 177284463

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate?
The IUPAC name of 2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate (CID 102564061) is 2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate.
What is the SMILES notation for 2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate?
The canonical SMILES for 2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate is CC(CC(=O)OCC(C)(C)C)N1CCCCC1=O.
What is the InChIKey of 2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate?
The InChIKey is SAMGQFUQMGCTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(15-8-6-5-7-12(15)16)9-13(17)18-10-14(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate?
2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate is sourced from PubChem (CID 102564061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).