1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide

C13H14BrN3O — CID 107275706

IUPAC1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(N2CCCC(C(N)=O)C2)cc1Br
InChIInChI=1S/C13H14BrN3O/c14-12-6-11(4-3-9(12)7-15)17-5-1-2-10(8-17)13(16)18/h3-4,6,10H,1-2,5,8H2,(H2,16,18)
InChIKeyCSQZIOBOHCPXDL-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.02
Rot. Bonds2

About 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide

1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide (PubChem CID 107275706) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
PubChem CID107275706
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(N2CCCC(C(N)=O)C2)cc1Br
InChIInChI=1S/C13H14BrN3O/c14-12-6-11(4-3-9(12)7-15)17-5-1-2-10(8-17)13(16)18/h3-4,6,10H,1-2,5,8H2,(H2,16,18)
InChIKeyCSQZIOBOHCPXDL-UHFFFAOYSA-N
XLogP2.02
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 107276465
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
1-(2-cyano-4-methylphenyl)piperidine-3-carboxamide
CID 107926802
2-bromo-4-[3-(dimethylamino)piperidin-1-yl]benzonitrile
CID 107276477
2-[1-(3-bromo-4-cyanophenyl)piperidin-4-yl]acetamide
CID 107276144
1-(5-bromo-3-cyano-2-pyridinyl)piperidine-3-carboxamide
CID 172899347
(3R)-1-(4-nitrophenyl)piperidine-3-carboxamide
CID 33114657
1-(3-bromo-4-cyanophenyl)piperidine-2-carboxylic acid
CID 107275315
1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide
CID 133304205
1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 117008299
1-(2-amino-5-cyanophenyl)piperidine-3-carboxamide
CID 104711327
5-(3-carbamoylpiperidin-1-yl)-2-nitrobenzoic acid
CID 43176699

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide (CID 107275706) is 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide is N#Cc1ccc(N2CCCC(C(N)=O)C2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide?
The InChIKey is CSQZIOBOHCPXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-12-6-11(4-3-9(12)7-15)17-5-1-2-10(8-17)13(16)18/h3-4,6,10H,1-2,5,8H2,(H2,16,18).
What are the key properties of 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide?
1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 107275706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).