N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide

C13H16BrN3O2 — CID 24705814

IUPACN-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(=NO)CC1)Nc1ccccc1Br
InChIInChI=1S/C13H16BrN3O2/c14-11-3-1-2-4-12(11)15-13(18)9-17-7-5-10(16-19)6-8-17/h1-4,19H,5-9H2,(H,15,18)
InChIKeyLXNRHNATOJRIEI-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.31
Rot. Bonds3

About N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide

N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide (PubChem CID 24705814) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide
PubChem CID24705814
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC NameN-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(=NO)CC1)Nc1ccccc1Br
InChIInChI=1S/C13H16BrN3O2/c14-11-3-1-2-4-12(11)15-13(18)9-17-7-5-10(16-19)6-8-17/h1-4,19H,5-9H2,(H,15,18)
InChIKeyLXNRHNATOJRIEI-UHFFFAOYSA-N
XLogP2.31
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 18125062
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305227
N-(2-bromophenyl)-2-[4-(dimethylsulfamoyl)piperazin-1-yl]acetamide
CID 34782547
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
2-[4-[2-(2-bromoanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735509
N-(2-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 109024617
N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromophenyl)-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]acetamide
CID 17425960
N-(2-bromophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetamide
CID 1091721
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide (CID 24705814) is N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide is O=C(CN1CCC(=NO)CC1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide?
The InChIKey is LXNRHNATOJRIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c14-11-3-1-2-4-12(11)15-13(18)9-17-7-5-10(16-19)6-8-17/h1-4,19H,5-9H2,(H,15,18).
What are the key properties of N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide?
N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide has a molecular weight of 326.19 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide is sourced from PubChem (CID 24705814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).