methyl 2-(4-oxopiperidin-1-yl)acetate

C8H13NO3 — CID 22609829

IUPACmethyl 2-(4-oxopiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(=O)CC1
InChIInChI=1S/C8H13NO3/c1-12-8(11)6-9-4-2-7(10)3-5-9/h2-6H2,1H3
InChIKeyWWLVHJAXNZPGGB-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.18
Rot. Bonds2

About methyl 2-(4-oxopiperidin-1-yl)acetate

methyl 2-(4-oxopiperidin-1-yl)acetate (PubChem CID 22609829) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is methyl 2-(4-oxopiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-oxopiperidin-1-yl)acetate
PubChem CID22609829
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namemethyl 2-(4-oxopiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(=O)CC1
InChIInChI=1S/C8H13NO3/c1-12-8(11)6-9-4-2-7(10)3-5-9/h2-6H2,1H3
InChIKeyWWLVHJAXNZPGGB-UHFFFAOYSA-N
XLogP-0.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperidineacetic acid, ethyl ester
CID 643466
Propionic acid, 2-methyl-2-piperidino-, methyl ester
CID 3058841
Methyl 3-(4-oxopiperidin-1-yl)propanoate
CID 18187970
1-(2-Methoxyethyl)piperidin-4-one
CID 24710264
Piperidin-1-yl-acetic acid, methyl ester
CID 6421770
Methyl alpha-methyl-1-piperidineacetate
CID 12957458
methyl (2R)-2-(4-oxopiperidin-1-yl)propanoate
CID 130119466
2-(4-Oxopiperidin-1-yl)acetic acid
CID 6496939
1-Morpholin-4-ylbutane-2,3-dione
CID 57977883
Ethyl 2-(1-methylpiperidin-1-ium-1-yl)acetate
CID 102358
Ethyl 2-(1-ethylpiperidin-1-ium-1-yl)acetate
CID 3048284
Fluoro 2-(4-oxopiperidin-1-yl)acetate
CID 141872102

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxopiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(4-oxopiperidin-1-yl)acetate (CID 22609829) is methyl 2-(4-oxopiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-oxopiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-oxopiperidin-1-yl)acetate is COC(=O)CN1CCC(=O)CC1.
What is the InChIKey of methyl 2-(4-oxopiperidin-1-yl)acetate?
The InChIKey is WWLVHJAXNZPGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-12-8(11)6-9-4-2-7(10)3-5-9/h2-6H2,1H3.
What are the key properties of methyl 2-(4-oxopiperidin-1-yl)acetate?
methyl 2-(4-oxopiperidin-1-yl)acetate has a molecular weight of 171.20 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxopiperidin-1-yl)acetate is sourced from PubChem (CID 22609829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).