N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide

C13H15BrN2O3 — CID 47336291

IUPACN-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(Br)cc1)C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H15BrN2O3/c14-9-3-5-10(6-4-9)15-12(18)13(19)16-7-1-2-11(17)8-16/h3-6,11,17H,1-2,7-8H2,(H,15,18)
InChIKeyXVXHJRIQKADEMN-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.37
Rot. Bonds1

About N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide

N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide (PubChem CID 47336291) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
PubChem CID47336291
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC NameN-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
SMILESO=C(Nc1ccc(Br)cc1)C(=O)N1CCCC(O)C1
InChIInChI=1S/C13H15BrN2O3/c14-9-3-5-10(6-4-9)15-12(18)13(19)16-7-1-2-11(17)8-16/h3-6,11,17H,1-2,7-8H2,(H,15,18)
InChIKeyXVXHJRIQKADEMN-UHFFFAOYSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336374
N-(4-bromophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 47345433
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
N-(9-ethylcarbazol-3-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
CID 96563263
N-(3-chloro-4-methylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
CID 111567113
(3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide
CID 8669559
N-(2,5-diethylphenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 111490436
2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide
CID 110929194
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
N-(4-ethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 111797796
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
(3R)-N-[4-(cyclopentylcarbamoyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 94153607

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide (CID 47336291) is N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide is O=C(Nc1ccc(Br)cc1)C(=O)N1CCCC(O)C1.
What is the InChIKey of N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide?
The InChIKey is XVXHJRIQKADEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-9-3-5-10(6-4-9)15-12(18)13(19)16-7-1-2-11(17)8-16/h3-6,11,17H,1-2,7-8H2,(H,15,18).
What are the key properties of N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide?
N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide has a molecular weight of 327.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 47336291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).