2-(2-oxopiperidin-1-yl)acetate

C7H10NO3- — CID 18981165

IUPAC2-(2-oxopiperidin-1-yl)acetate
SMILESO=C([O-])CN1CCCCC1=O
InChIInChI=1S/C7H11NO3/c9-6-3-1-2-4-8(6)5-7(10)11/h1-5H2,(H,10,11)/p-1
InChIKeyLKYYGCNRZKZWLZ-UHFFFAOYSA-M
MW156.16 g/mol
LogP-1.25
Rot. Bonds2

About 2-(2-oxopiperidin-1-yl)acetate

2-(2-oxopiperidin-1-yl)acetate (PubChem CID 18981165) has the molecular formula C7H10NO3- and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)acetate.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)acetate
PubChem CID18981165
Molecular FormulaC7H10NO3-
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-(2-oxopiperidin-1-yl)acetate
SMILESO=C([O-])CN1CCCCC1=O
InChIInChI=1S/C7H11NO3/c9-6-3-1-2-4-8(6)5-7(10)11/h1-5H2,(H,10,11)/p-1
InChIKeyLKYYGCNRZKZWLZ-UHFFFAOYSA-M
XLogP-1.25
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxoazetidin-1-yl)acetate
CID 23049540
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
1-(2-pyrrolidin-1-ylprop-2-enyl)azepan-2-one
CID 142011041
1,3-bis[(2-oxoazonan-1-yl)methyl]urea
CID 23348617
1-(3-methoxy-2-oxopropyl)piperidin-2-one
CID 107507681
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
1-[2-(4-nitrophenyl)-2-oxoethyl]piperidin-2-one
CID 62024655
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid
CID 146568343

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)acetate?
The IUPAC name of 2-(2-oxopiperidin-1-yl)acetate (CID 18981165) is 2-(2-oxopiperidin-1-yl)acetate.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)acetate?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)acetate is O=C([O-])CN1CCCCC1=O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)acetate?
The InChIKey is LKYYGCNRZKZWLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO3/c9-6-3-1-2-4-8(6)5-7(10)11/h1-5H2,(H,10,11)/p-1.
What are the key properties of 2-(2-oxopiperidin-1-yl)acetate?
2-(2-oxopiperidin-1-yl)acetate has a molecular weight of 156.16 g/mol, XLogP of -1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)acetate is sourced from PubChem (CID 18981165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).