4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide

C14H16BrN3O2 — CID 63625545

IUPAC4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
SMILESN#CCN1CCC(NC(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C14H16BrN3O2/c15-10-1-2-12(13(19)9-10)14(20)17-11-3-6-18(7-4-11)8-5-16/h1-2,9,11,19H,3-4,6-8H2,(H,17,20)
InChIKeyQCADTHLFXSKYDF-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.87
Rot. Bonds3

About 4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide

4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide (PubChem CID 63625545) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
PubChem CID63625545
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
SMILESN#CCN1CCC(NC(=O)c2ccc(Br)cc2O)CC1
InChIInChI=1S/C14H16BrN3O2/c15-10-1-2-12(13(19)9-10)14(20)17-11-3-6-18(7-4-11)8-5-16/h1-2,9,11,19H,3-4,6-8H2,(H,17,20)
InChIKeyQCADTHLFXSKYDF-UHFFFAOYSA-N
XLogP1.87
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-[1-(cyanomethyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 63625204
N-[1-(cyanomethyl)piperidin-4-yl]-3,4-dihydroxybenzamide
CID 103956985
5-bromo-N-[1-(cyanomethyl)piperidin-4-yl]pyridine-2-carboxamide
CID 55247297
N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxy-5-methoxybenzamide
CID 63626426
3-(4-bromophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166179780
N-(4-aminocyclohexyl)-4-bromo-2-hydroxybenzamide
CID 55038314
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
N-[1-(cyanomethyl)piperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 63626427
N-(azetidin-3-yl)-4-bromo-2-hydroxybenzamide
CID 66187922
N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63625025
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide (CID 63625545) is 4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide is N#CCN1CCC(NC(=O)c2ccc(Br)cc2O)CC1.
What is the InChIKey of 4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide?
The InChIKey is QCADTHLFXSKYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c15-10-1-2-12(13(19)9-10)14(20)17-11-3-6-18(7-4-11)8-5-16/h1-2,9,11,19H,3-4,6-8H2,(H,17,20).
What are the key properties of 4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide?
4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide has a molecular weight of 338.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 63625545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).