methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate

C15H17Br2NO3 — CID 103908243

IUPACmethyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H17Br2NO3/c1-21-14(19)9-13-4-2-3-5-18(13)15(20)10-6-11(16)8-12(17)7-10/h6-8,13H,2-5,9H2,1H3
InChIKeyLBDDXQBNWVWTDQ-UHFFFAOYSA-N
MW419.11 g/mol
LogP3.77
Rot. Bonds3

About methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate

methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate (PubChem CID 103908243) has the molecular formula C15H17Br2NO3 and a molecular weight of 419.11 g/mol. Its IUPAC name is methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
PubChem CID103908243
Molecular FormulaC15H17Br2NO3
Molecular Weight419.11 g/mol
Exact Mass416.96
IUPAC Namemethyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H17Br2NO3/c1-21-14(19)9-13-4-2-3-5-18(13)15(20)10-6-11(16)8-12(17)7-10/h6-8,13H,2-5,9H2,1H3
InChIKeyLBDDXQBNWVWTDQ-UHFFFAOYSA-N
XLogP3.77
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.11
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(bromomethyl)piperidin-1-yl]-(3,5-dibromophenyl)methanone
CID 114022943
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
[2-(bromomethyl)azepan-1-yl]-(3,5-dibromophenyl)methanone
CID 114022996
methyl 2-[1-[4-(hydroxymethyl)benzoyl]piperidin-2-yl]acetate
CID 61011110
methyl 2-[(2R)-1-[3-hydroxy-5-(trifluoromethyl)benzoyl]piperidin-2-yl]acetate
CID 166280266
methyl 2-[1-(4-acetamidobenzoyl)piperidin-2-yl]acetate
CID 60520995
(3,5-dibromophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103909408
methyl 2-[1-(4-amino-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 62682417
methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate
CID 66122706
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974810
methyl 2-[1-(2-bromo-3-fluorobenzoyl)piperidin-2-yl]acetate
CID 81499432

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate (CID 103908243) is methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate?
The InChIKey is LBDDXQBNWVWTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO3/c1-21-14(19)9-13-4-2-3-5-18(13)15(20)10-6-11(16)8-12(17)7-10/h6-8,13H,2-5,9H2,1H3.
What are the key properties of methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate?
methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate has a molecular weight of 419.11 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 103908243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).