N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide

C21H20BrN3O — CID 11531641

IUPACN-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1N1CCNCC1)c1cccc2ccccc12
InChIInChI=1S/C21H20BrN3O/c22-16-8-9-20(25-12-10-23-11-13-25)19(14-16)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,23H,10-13H2,(H,24,26)
InChIKeySWKYODCETJXWLS-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.26
Rot. Bonds3

About N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide

N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide (PubChem CID 11531641) has the molecular formula C21H20BrN3O and a molecular weight of 410.32 g/mol. Its IUPAC name is N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide
PubChem CID11531641
Molecular FormulaC21H20BrN3O
Molecular Weight410.32 g/mol
Exact Mass409.08
IUPAC NameN-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cc(Br)ccc1N1CCNCC1)c1cccc2ccccc12
InChIInChI=1S/C21H20BrN3O/c22-16-8-9-20(25-12-10-23-11-13-25)19(14-16)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,23H,10-13H2,(H,24,26)
InChIKeySWKYODCETJXWLS-UHFFFAOYSA-N
XLogP4.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide (CID 11531641) is N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide is O=C(Nc1cc(Br)ccc1N1CCNCC1)c1cccc2ccccc12.
What is the InChIKey of N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide?
The InChIKey is SWKYODCETJXWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O/c22-16-8-9-20(25-12-10-23-11-13-25)19(14-16)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,23H,10-13H2,(H,24,26).
What are the key properties of N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide?
N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide has a molecular weight of 410.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 11531641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).