N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide

C13H14BrN3O2 — CID 127267215

IUPACN-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESN#Cc1ccc(Br)c(NC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C13H14BrN3O2/c14-11-2-1-9(8-15)7-12(11)16-13(19)17-5-3-10(18)4-6-17/h1-2,7,10,18H,3-6H2,(H,16,19)
InChIKeyVDJYVXYAVMDSGT-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.31
Rot. Bonds1

About N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide

N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 127267215) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID127267215
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC NameN-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESN#Cc1ccc(Br)c(NC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C13H14BrN3O2/c14-11-2-1-9(8-15)7-12(11)16-13(19)17-5-3-10(18)4-6-17/h1-2,7,10,18H,3-6H2,(H,16,19)
InChIKeyVDJYVXYAVMDSGT-UHFFFAOYSA-N
XLogP2.31
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032301
N-(2-cyano-4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 71859745
3-(2-Bromo-5-methylphenyl)-1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-1-methylurea
CID 84598896
3-(2-Bromo-3-methylphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 132345848
N-[2-bromo-5-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 108127560
N-[2-bromo-5-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 108127563
4-hydroxy-N-(3-methylphenyl)piperidine-1-carboxamide
CID 16375831
N-(4-cyanophenyl)-4-hydroxypiperidine-1-carboxamide
CID 25594473
N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 43132955
N-(3-cyanophenyl)-4-hydroxypiperidine-1-carboxamide
CID 43428230
N-(3-cyanophenyl)-3-hydroxypiperidine-1-carboxamide
CID 43428233
N-(2-bromophenyl)-4-hydroxypiperidine-1-carboxamide
CID 45820196

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide (CID 127267215) is N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide is N#Cc1ccc(Br)c(NC(=O)N2CCC(O)CC2)c1.
What is the InChIKey of N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is VDJYVXYAVMDSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-11-2-1-9(8-15)7-12(11)16-13(19)17-5-3-10(18)4-6-17/h1-2,7,10,18H,3-6H2,(H,16,19).
What are the key properties of N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide?
N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 324.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-cyanophenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 127267215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).