3-bromo-N-piperidin-3-ylbenzamide

C12H15BrN2O — CID 63321592

IUPAC3-bromo-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O/c13-10-4-1-3-9(7-10)12(16)15-11-5-2-6-14-8-11/h1,3-4,7,11,14H,2,5-6,8H2,(H,15,16)
InChIKeyVCVZLRGCTANQOR-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.93
Rot. Bonds2

About 3-bromo-N-piperidin-3-ylbenzamide

3-bromo-N-piperidin-3-ylbenzamide (PubChem CID 63321592) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-bromo-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-piperidin-3-ylbenzamide
PubChem CID63321592
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-bromo-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1cccc(Br)c1
InChIInChI=1S/C12H15BrN2O/c13-10-4-1-3-9(7-10)12(16)15-11-5-2-6-14-8-11/h1,3-4,7,11,14H,2,5-6,8H2,(H,15,16)
InChIKeyVCVZLRGCTANQOR-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-piperidin-3-ylbenzamide
CID 22017045
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 86812954
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427630
3-methylsulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428145
N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119426507
6-(3-bromophenoxy)-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119427629
3-(cyclopentylsulfamoyl)-N-piperidin-3-ylbenzamide
CID 119424342
N-[3-(piperidin-3-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 119428864
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-bromo-N-piperidin-3-ylbenzamide (CID 63321592) is 3-bromo-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-bromo-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-bromo-N-piperidin-3-ylbenzamide is O=C(NC1CCCNC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-piperidin-3-ylbenzamide?
The InChIKey is VCVZLRGCTANQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-10-4-1-3-9(7-10)12(16)15-11-5-2-6-14-8-11/h1,3-4,7,11,14H,2,5-6,8H2,(H,15,16).
What are the key properties of 3-bromo-N-piperidin-3-ylbenzamide?
3-bromo-N-piperidin-3-ylbenzamide has a molecular weight of 283.17 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 63321592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).