N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide

C34H31N3O — CID 11584133

IUPACN-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C34H31N3O/c38-34(31-17-9-15-28-14-7-8-16-30(28)31)35-32-24-29(27-12-5-2-6-13-27)18-19-33(32)37-22-20-36(21-23-37)25-26-10-3-1-4-11-26/h1-19,24H,20-23,25H2,(H,35,38)
InChIKeyABOBTXLSWCANMO-UHFFFAOYSA-N
MW497.64 g/mol
LogP7.08
Rot. Bonds6

About N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide

N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide (PubChem CID 11584133) has the molecular formula C34H31N3O and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide
PubChem CID11584133
Molecular FormulaC34H31N3O
Molecular Weight497.64 g/mol
Exact Mass497.25
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)ccc1N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C34H31N3O/c38-34(31-17-9-15-28-14-7-8-16-30(28)31)35-32-24-29(27-12-5-2-6-13-27)18-19-33(32)37-22-20-36(21-23-37)25-26-10-3-1-4-11-26/h1-19,24H,20-23,25H2,(H,35,38)
InChIKeyABOBTXLSWCANMO-UHFFFAOYSA-N
XLogP7.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]naphthalene-1-carboxamide
CID 11496999
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 91675791
methyl 4-(4-benzylpiperazin-1-yl)-3-[(4-phenylbenzoyl)amino]benzoate;hydrochloride
CID 163326563
N-(5-amino-2-pyrrolidin-1-ylphenyl)naphthalene-1-carboxamide
CID 91675506
N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-2-oxochromene-3-carboxamide
CID 11699253
N-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)naphthalene-1-carboxamide
CID 167862401
N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 979888
N-[2-(4-benzylpiperazin-1-yl)phenyl]-4-nitrobenzamide
CID 139916933
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-iodobenzamide
CID 2945842
N-(2-hydroxy-5-phenylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 59627322
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide (CID 11584133) is N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide is O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(Cc2ccccc2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide?
The InChIKey is ABOBTXLSWCANMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O/c38-34(31-17-9-15-28-14-7-8-16-30(28)31)35-32-24-29(27-12-5-2-6-13-27)18-19-33(32)37-22-20-36(21-23-37)25-26-10-3-1-4-11-26/h1-19,24H,20-23,25H2,(H,35,38).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 7.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-5-phenylphenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 11584133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).