N'-(4-bromophenyl)-N-piperidin-4-yloxamide

C13H16BrN3O2 — CID 52945181

IUPACN'-(4-bromophenyl)-N-piperidin-4-yloxamide
SMILESO=C(Nc1ccc(Br)cc1)C(=O)NC1CCNCC1
InChIInChI=1S/C13H16BrN3O2/c14-9-1-3-10(4-2-9)16-12(18)13(19)17-11-5-7-15-8-6-11/h1-4,11,15H,5-8H2,(H,16,18)(H,17,19)
InChIKeyVOXJAUUFUYZQCV-UHFFFAOYSA-N
MW326.19 g/mol
LogP1.26
Rot. Bonds2

About N'-(4-bromophenyl)-N-piperidin-4-yloxamide

N'-(4-bromophenyl)-N-piperidin-4-yloxamide (PubChem CID 52945181) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-piperidin-4-yloxamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-piperidin-4-yloxamide
PubChem CID52945181
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC NameN'-(4-bromophenyl)-N-piperidin-4-yloxamide
SMILESO=C(Nc1ccc(Br)cc1)C(=O)NC1CCNCC1
InChIInChI=1S/C13H16BrN3O2/c14-9-1-3-10(4-2-9)16-12(18)13(19)17-11-5-7-15-8-6-11/h1-4,11,15H,5-8H2,(H,16,18)(H,17,19)
InChIKeyVOXJAUUFUYZQCV-UHFFFAOYSA-N
XLogP1.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 687138
N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
Nbd-557
CID 5279270
N-{2-[(3-bromophenyl)-phenylamino]ethyl}acetamide
CID 24750191
N-(4-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 1149581
2-amino-N-(4-bromophenyl)acetamide
CID 871334
Bromamid
CID 68839
6-Bromo-1,2,3,4-tetrahydroquinoxalin-2-one
CID 66911307
N~1~-(4-bromophenyl)-N~2~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 1288007
N-(2-bromophenyl)-2-[cyclohexyl(ethyl)amino]acetamide
CID 2404945
2-(3-oxopiperazin-2-yl)-N-phenylacetamide
CID 2955672
1-(4-Bromophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6468110

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-piperidin-4-yloxamide?
The IUPAC name of N'-(4-bromophenyl)-N-piperidin-4-yloxamide (CID 52945181) is N'-(4-bromophenyl)-N-piperidin-4-yloxamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-piperidin-4-yloxamide?
The canonical SMILES for N'-(4-bromophenyl)-N-piperidin-4-yloxamide is O=C(Nc1ccc(Br)cc1)C(=O)NC1CCNCC1.
What is the InChIKey of N'-(4-bromophenyl)-N-piperidin-4-yloxamide?
The InChIKey is VOXJAUUFUYZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c14-9-1-3-10(4-2-9)16-12(18)13(19)17-11-5-7-15-8-6-11/h1-4,11,15H,5-8H2,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromophenyl)-N-piperidin-4-yloxamide?
N'-(4-bromophenyl)-N-piperidin-4-yloxamide has a molecular weight of 326.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-piperidin-4-yloxamide is sourced from PubChem (CID 52945181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).