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

C27H25N3O — CID 23647412

IUPACN-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1N1CCNCC1)c1cccc2ccccc12
InChIInChI=1S/C27H25N3O/c31-27(24-12-6-10-21-9-4-5-11-23(21)24)29-25-19-22(20-7-2-1-3-8-20)13-14-26(25)30-17-15-28-16-18-30/h1-14,19,28H,15-18H2,(H,29,31)
InChIKeyLGCAWTUFLILYSL-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.17
Rot. Bonds4

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

N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide (PubChem CID 23647412) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide
PubChem CID23647412
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC NameN-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1N1CCNCC1)c1cccc2ccccc12
InChIInChI=1S/C27H25N3O/c31-27(24-12-6-10-21-9-4-5-11-23(21)24)29-25-19-22(20-7-2-1-3-8-20)13-14-26(25)30-17-15-28-16-18-30/h1-14,19,28H,15-18H2,(H,29,31)
InChIKeyLGCAWTUFLILYSL-UHFFFAOYSA-N
XLogP5.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide (CID 23647412) is N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide is O=C(Nc1cc(-c2ccccc2)ccc1N1CCNCC1)c1cccc2ccccc12.
What is the InChIKey of N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide?
The InChIKey is LGCAWTUFLILYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c31-27(24-12-6-10-21-9-4-5-11-23(21)24)29-25-19-22(20-7-2-1-3-8-20)13-14-26(25)30-17-15-28-16-18-30/h1-14,19,28H,15-18H2,(H,29,31).
What are the key properties of N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide?
N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2-piperazin-1-ylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 23647412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).