methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate

C15H19NO4 — CID 117054270

IUPACmethyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1OCC1CCNC(=O)C1
InChIInChI=1S/C15H19NO4/c1-19-15(18)9-12-4-2-3-5-13(12)20-10-11-6-7-16-14(17)8-11/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyKVBRTMVAQKXTMM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.31
Rot. Bonds5

About methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate

methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate (PubChem CID 117054270) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate
PubChem CID117054270
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namemethyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1OCC1CCNC(=O)C1
InChIInChI=1S/C15H19NO4/c1-19-15(18)9-12-4-2-3-5-13(12)20-10-11-6-7-16-14(17)8-11/h2-5,11H,6-10H2,1H3,(H,16,17)
InChIKeyKVBRTMVAQKXTMM-UHFFFAOYSA-N
XLogP1.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(methoxymethyl)piperidin-2-one
CID 124538037
methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate
CID 117054245
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
methyl 2-(2-octoxyphenyl)acetate
CID 70186261
4-[(2-oxopiperidin-4-yl)methoxy]benzaldehyde
CID 117052632
methyl 2-[2-[[(2S)-2-methyloxiran-2-yl]methoxy]phenyl]acetate
CID 86640557
methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate
CID 117054272
methyl 2-[2-(1-methylpiperidin-4-yl)oxyphenyl]acetate
CID 117054228
ethane;(4S)-4-(ethoxymethyl)piperidin-2-one
CID 145338236
1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117296327
benzyl N-[(2-oxopiperidin-4-yl)methyl]carbamate
CID 166139678

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate (CID 117054270) is methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate is COC(=O)Cc1ccccc1OCC1CCNC(=O)C1.
What is the InChIKey of methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate?
The InChIKey is KVBRTMVAQKXTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-15(18)9-12-4-2-3-5-13(12)20-10-11-6-7-16-14(17)8-11/h2-5,11H,6-10H2,1H3,(H,16,17).
What are the key properties of methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate?
methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-oxopiperidin-4-yl)methoxy]phenyl]acetate is sourced from PubChem (CID 117054270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).