N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide

C17H18BrN3O — CID 46384771

IUPACN-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H18BrN3O/c18-14-2-1-3-15(12-14)20-17(22)13-6-10-21(11-7-13)16-4-8-19-9-5-16/h1-5,8-9,12-13H,6-7,10-11H2,(H,20,22)
InChIKeyJSGFAYAXVHAYIV-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.70
Rot. Bonds3

About N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide

N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384771) has the molecular formula C17H18BrN3O and a molecular weight of 360.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384771
Molecular FormulaC17H18BrN3O
Molecular Weight360.25 g/mol
Exact Mass359.06
IUPAC NameN-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H18BrN3O/c18-14-2-1-3-15(12-14)20-17(22)13-6-10-21(11-7-13)16-4-8-19-9-5-16/h1-5,8-9,12-13H,6-7,10-11H2,(H,20,22)
InChIKeyJSGFAYAXVHAYIV-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384771) is N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1cccc(Br)c1)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is JSGFAYAXVHAYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-14-2-1-3-15(12-14)20-17(22)13-6-10-21(11-7-13)16-4-8-19-9-5-16/h1-5,8-9,12-13H,6-7,10-11H2,(H,20,22).
What are the key properties of N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 360.25 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).