[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate

C15H16BrFN2O4 — CID 8633367

IUPAC[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
SMILESNC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H16BrFN2O4/c16-11-7-9(17)4-5-10(11)15(22)23-8-13(20)19-6-2-1-3-12(19)14(18)21/h4-5,7,12H,1-3,6,8H2,(H2,18,21)/t12-/m1/s1
InChIKeyVLACNQGJRNLDCM-GFCCVEGCSA-N
MW387.21 g/mol
LogP1.61
Rot. Bonds4

About [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate (PubChem CID 8633367) has the molecular formula C15H16BrFN2O4 and a molecular weight of 387.21 g/mol. Its IUPAC name is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate.

Molecular Properties

Compound Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
PubChem CID8633367
Molecular FormulaC15H16BrFN2O4
Molecular Weight387.21 g/mol
Exact Mass386.03
IUPAC Name[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate
SMILESNC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C15H16BrFN2O4/c16-11-7-9(17)4-5-10(11)15(22)23-8-13(20)19-6-2-1-3-12(19)14(18)21/h4-5,7,12H,1-3,6,8H2,(H2,18,21)/t12-/m1/s1
InChIKeyVLACNQGJRNLDCM-GFCCVEGCSA-N
XLogP1.61
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 8809019
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 9081155
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate
CID 8539315
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 9203023
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197839
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203308
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 9200718
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
CID 9197434
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203413
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 9200420
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 8808423
1-[3-(2,5-difluorophenyl)sulfanylpropanoyl]piperidine-2-carboxamide
CID 84583941

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate?
The IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate (CID 8633367) is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate.
What is the SMILES notation for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate?
The canonical SMILES for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate is NC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(F)cc1Br.
What is the InChIKey of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate?
The InChIKey is VLACNQGJRNLDCM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16BrFN2O4/c16-11-7-9(17)4-5-10(11)15(22)23-8-13(20)19-6-2-1-3-12(19)14(18)21/h4-5,7,12H,1-3,6,8H2,(H2,18,21)/t12-/m1/s1.
What are the key properties of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate?
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate has a molecular weight of 387.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-4-fluorobenzoate is sourced from PubChem (CID 8633367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).