methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate

C15H18FNO4 — CID 115299469

IUPACmethyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H18FNO4/c1-21-14(19)9-11-4-2-3-7-17(11)15(20)12-8-10(16)5-6-13(12)18/h5-6,8,11,18H,2-4,7,9H2,1H3
InChIKeyAILXOMGTWGJLHZ-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.09
Rot. Bonds3

About methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate

methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate (PubChem CID 115299469) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
PubChem CID115299469
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Namemethyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cc(F)ccc1O
InChIInChI=1S/C15H18FNO4/c1-21-14(19)9-11-4-2-3-7-17(11)15(20)12-8-10(16)5-6-13(12)18/h5-6,8,11,18H,2-4,7,9H2,1H3
InChIKeyAILXOMGTWGJLHZ-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399
1-[1-(4-fluoro-2-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107014985
ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 124574664
methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 81499432
[2-(3-chloropropyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299551
1-[1-(5-fluoro-2-methylbenzoyl)azepan-2-yl]propan-2-one
CID 79541273
methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 62682417
methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate
CID 78901290
methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate
CID 61140064
methyl 2-[1-[3-(4-fluorophenoxy)propanoyl]piperidin-2-yl]acetate
CID 60520937
methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
CID 61009407
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate (CID 115299469) is methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1cc(F)ccc1O.
What is the InChIKey of methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate?
The InChIKey is AILXOMGTWGJLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-14(19)9-11-4-2-3-7-17(11)15(20)12-8-10(16)5-6-13(12)18/h5-6,8,11,18H,2-4,7,9H2,1H3.
What are the key properties of methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate?
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate has a molecular weight of 295.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 115299469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).