[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

C17H21BrN2O4 — CID 55320566

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
SMILESCC1CCCCN1C(=O)COC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H21BrN2O4/c1-12-5-2-3-8-20(12)15(21)11-24-16(22)10-19-17(23)13-6-4-7-14(18)9-13/h4,6-7,9,12H,2-3,5,8,10-11H2,1H3,(H,19,23)
InChIKeyFJJIBHCWEXVRGR-UHFFFAOYSA-N
MW397.27 g/mol
LogP2.12
Rot. Bonds5

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate (PubChem CID 55320566) has the molecular formula C17H21BrN2O4 and a molecular weight of 397.27 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
PubChem CID55320566
Molecular FormulaC17H21BrN2O4
Molecular Weight397.27 g/mol
Exact Mass396.07
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
SMILESCC1CCCCN1C(=O)COC(=O)CNC(=O)c1cccc(Br)c1
InChIInChI=1S/C17H21BrN2O4/c1-12-5-2-3-8-20(12)15(21)11-24-16(22)10-19-17(23)13-6-4-7-14(18)9-13/h4,6-7,9,12H,2-3,5,8,10-11H2,1H3,(H,19,23)
InChIKeyFJJIBHCWEXVRGR-UHFFFAOYSA-N
XLogP2.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269520
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
CID 35661902
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790284
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884221
methyl 1-[2-[2-[(3-bromobenzoyl)amino]acetyl]oxyacetyl]piperidine-4-carboxylate
CID 46791831
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate
CID 9319445
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 2582023
3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 60537196
1-[2-[(3-bromobenzoyl)amino]acetyl]-6-methylpiperidine-3-carboxylic acid
CID 122083898
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-bromobenzamide
CID 119631869
3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59282800

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate (CID 55320566) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate is CC1CCCCN1C(=O)COC(=O)CNC(=O)c1cccc(Br)c1.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
The InChIKey is FJJIBHCWEXVRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O4/c1-12-5-2-3-8-20(12)15(21)11-24-16(22)10-19-17(23)13-6-4-7-14(18)9-13/h4,6-7,9,12H,2-3,5,8,10-11H2,1H3,(H,19,23).
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate has a molecular weight of 397.27 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate is sourced from PubChem (CID 55320566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).