2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide

C15H19BrN2O3 — CID 114680413

IUPAC2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCC1CN(C(=O)CNC(=O)c2ccccc2Br)CCC1O
InChIInChI=1S/C15H19BrN2O3/c1-10-9-18(7-6-13(10)19)14(20)8-17-15(21)11-4-2-3-5-12(11)16/h2-5,10,13,19H,6-9H2,1H3,(H,17,21)
InChIKeyLSPYGASWELGFCT-UHFFFAOYSA-N
MW355.23 g/mol
LogP1.41
Rot. Bonds3

About 2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide

2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 114680413) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID114680413
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
SMILESCC1CN(C(=O)CNC(=O)c2ccccc2Br)CCC1O
InChIInChI=1S/C15H19BrN2O3/c1-10-9-18(7-6-13(10)19)14(20)8-17-15(21)11-4-2-3-5-12(11)16/h2-5,10,13,19H,6-9H2,1H3,(H,17,21)
InChIKeyLSPYGASWELGFCT-UHFFFAOYSA-N
XLogP1.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 114679823
2-fluoro-N-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 103901184
2-bromo-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 112991795
2-amino-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 114678319
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 114678070
2-(2-bromophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 112991009
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
2-bromo-N-[2-(2,6-dimethylmorpholin-4-yl)propyl]benzamide
CID 46413957
2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 114680336
N-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]-2-fluorobenzamide
CID 106671856
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide (CID 114680413) is 2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide is CC1CN(C(=O)CNC(=O)c2ccccc2Br)CCC1O.
What is the InChIKey of 2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is LSPYGASWELGFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10-9-18(7-6-13(10)19)14(20)8-17-15(21)11-4-2-3-5-12(11)16/h2-5,10,13,19H,6-9H2,1H3,(H,17,21).
What are the key properties of 2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide?
2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 355.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 114680413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).