methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate

C15H17BrFNO3 — CID 81499432

IUPACmethyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cccc(F)c1Br
InChIInChI=1S/C15H17BrFNO3/c1-21-13(19)9-10-5-2-3-8-18(10)15(20)11-6-4-7-12(17)14(11)16/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeySWONYYXSUPSBIM-UHFFFAOYSA-N
MW358.21 g/mol
LogP3.15
Rot. Bonds3

About methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate

methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate (PubChem CID 81499432) has the molecular formula C15H17BrFNO3 and a molecular weight of 358.21 g/mol. Its IUPAC name is methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
PubChem CID81499432
Molecular FormulaC15H17BrFNO3
Molecular Weight358.21 g/mol
Exact Mass357.04
IUPAC Namemethyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cccc(F)c1Br
InChIInChI=1S/C15H17BrFNO3/c1-21-13(19)9-10-5-2-3-8-18(10)15(20)11-6-4-7-12(17)14(11)16/h4,6-7,10H,2-3,5,8-9H2,1H3
InChIKeySWONYYXSUPSBIM-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(2-chloro-6-fluorobenzoyl)piperidin-2-yl]acetate
CID 61009407
methyl 2-[1-(5-fluoro-2-hydroxybenzoyl)piperidin-2-yl]acetate
CID 115299469
[2-(bromomethyl)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 80661009
1-[1-(2-fluorobenzoyl)piperidin-2-yl]propan-2-one
CID 79549037
methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 62682417
methyl 2-[1-(2-amino-4-chlorobenzoyl)piperidin-2-yl]acetate
CID 61140064
(2-bromo-3-methylphenyl)-(2-ethylazepan-1-yl)methanone
CID 107982609
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
1-[1-(2-fluoro-6-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 107014982
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate (CID 81499432) is methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1cccc(F)c1Br.
What is the InChIKey of methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate?
The InChIKey is SWONYYXSUPSBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNO3/c1-21-13(19)9-10-5-2-3-8-18(10)15(20)11-6-4-7-12(17)14(11)16/h4,6-7,10H,2-3,5,8-9H2,1H3.
What are the key properties of methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate has a molecular weight of 358.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 81499432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).