1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

C32H32N6O — CID 51360428

IUPAC1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(-n2nnnc2C(c2cccc3ccccc23)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C32H32N6O/c1-39-28-18-16-27(17-19-28)38-32(33-34-35-38)31(30-15-7-13-26-12-5-6-14-29(26)30)37-23-21-36(22-24-37)20-8-11-25-9-3-2-4-10-25/h2-19,31H,20-24H2,1H3/b11-8+
InChIKeyZRWXFXBOTNBDFK-DHZHZOJOSA-N
MW516.65 g/mol
LogP5.24
Rot. Bonds8

About 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 51360428) has the molecular formula C32H32N6O and a molecular weight of 516.65 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID51360428
Molecular FormulaC32H32N6O
Molecular Weight516.65 g/mol
Exact Mass516.26
IUPAC Name1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(-n2nnnc2C(c2cccc3ccccc23)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C32H32N6O/c1-39-28-18-16-27(17-19-28)38-32(33-34-35-38)31(30-15-7-13-26-12-5-6-14-29(26)30)37-23-21-36(22-24-37)20-8-11-25-9-3-2-4-10-25/h2-19,31H,20-24H2,1H3/b11-8+
InChIKeyZRWXFXBOTNBDFK-DHZHZOJOSA-N
XLogP5.24
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 51360428) is 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1ccc(-n2nnnc2C(c2cccc3ccccc23)N2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is ZRWXFXBOTNBDFK-DHZHZOJOSA-N. The full InChI is InChI=1S/C32H32N6O/c1-39-28-18-16-27(17-19-28)38-32(33-34-35-38)31(30-15-7-13-26-12-5-6-14-29(26)30)37-23-21-36(22-24-37)20-8-11-25-9-3-2-4-10-25/h2-19,31H,20-24H2,1H3/b11-8+.
What are the key properties of 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 516.65 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)tetrazol-5-yl]-naphthalen-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 51360428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).