ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate

C10H17NO3 — CID 104679887

IUPACethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCCC(C)C1=O
InChIInChI=1S/C10H17NO3/c1-3-14-9(12)7-11-6-4-5-8(2)10(11)13/h8H,3-7H2,1-2H3
InChIKeyAVJHFDLZLYVYOH-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds3

About ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate

ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate (PubChem CID 104679887) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
PubChem CID104679887
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCCC(C)C1=O
InChIInChI=1S/C10H17NO3/c1-3-14-9(12)7-11-6-4-5-8(2)10(11)13/h8H,3-7H2,1-2H3
InChIKeyAVJHFDLZLYVYOH-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
CID 104751665
1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
CID 103073008
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
ethyl 2-(2-sulfanylidenepyrrolidin-1-yl)acetate
CID 71395056
ethyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]acetate
CID 10615174
methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
CID 10583700
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
3-methyl-1-(2-oxobutyl)pyrrolidin-2-one
CID 130986072
methyl 2-[3-(aminomethyl)-2-oxopiperidin-1-yl]acetate
CID 155973543
2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679897
5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
CID 104679844
3-(3-methyl-2-oxopiperidin-1-yl)propanethioamide
CID 104680130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate (CID 104679887) is ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate is CCOC(=O)CN1CCCC(C)C1=O.
What is the InChIKey of ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate?
The InChIKey is AVJHFDLZLYVYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-9(12)7-11-6-4-5-8(2)10(11)13/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate?
ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate is sourced from PubChem (CID 104679887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).