1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide

C17H18BrN3O — CID 45275357

IUPAC1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Br)cncc2-c2ccccc2)CC1
InChIInChI=1S/C17H18BrN3O/c18-15-11-20-10-14(12-4-2-1-3-5-12)16(15)21-8-6-13(7-9-21)17(19)22/h1-5,10-11,13H,6-9H2,(H2,19,22)
InChIKeyLTVDBVSKGLPMJH-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.21
Rot. Bonds3

About 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide

1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide (PubChem CID 45275357) has the molecular formula C17H18BrN3O and a molecular weight of 360.25 g/mol. Its IUPAC name is 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide
PubChem CID45275357
Molecular FormulaC17H18BrN3O
Molecular Weight360.25 g/mol
Exact Mass359.06
IUPAC Name1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2c(Br)cncc2-c2ccccc2)CC1
InChIInChI=1S/C17H18BrN3O/c18-15-11-20-10-14(12-4-2-1-3-5-12)16(15)21-8-6-13(7-9-21)17(19)22/h1-5,10-11,13H,6-9H2,(H2,19,22)
InChIKeyLTVDBVSKGLPMJH-UHFFFAOYSA-N
XLogP3.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide (CID 45275357) is 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2c(Br)cncc2-c2ccccc2)CC1.
What is the InChIKey of 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide?
The InChIKey is LTVDBVSKGLPMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-15-11-20-10-14(12-4-2-1-3-5-12)16(15)21-8-6-13(7-9-21)17(19)22/h1-5,10-11,13H,6-9H2,(H2,19,22).
What are the key properties of 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide?
1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide has a molecular weight of 360.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-phenyl-4-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 45275357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).