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

C30H34N6O — CID 51360410

IUPAC1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(-n2nnnc2C(CCc2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C30H34N6O/c1-37-28-17-15-27(16-18-28)36-30(31-32-33-36)29(19-14-26-11-6-3-7-12-26)35-23-21-34(22-24-35)20-8-13-25-9-4-2-5-10-25/h2-13,15-18,29H,14,19-24H2,1H3/b13-8+
InChIKeyREOVYWSWZAWMTB-MDWZMJQESA-N
MW494.64 g/mol
LogP4.68
Rot. Bonds10

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

1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 51360410) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID51360410
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC Name1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(-n2nnnc2C(CCc2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C30H34N6O/c1-37-28-17-15-27(16-18-28)36-30(31-32-33-36)29(19-14-26-11-6-3-7-12-26)35-23-21-34(22-24-35)20-8-13-25-9-4-2-5-10-25/h2-13,15-18,29H,14,19-24H2,1H3/b13-8+
InChIKeyREOVYWSWZAWMTB-MDWZMJQESA-N
XLogP4.68
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68693822
1-[(1S)-1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-2-(2-phenylethoxy)ethyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91172040
1-[(2R)-4-phenylbutan-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1378336
1-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;1-[(R)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 160503508
1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
CID 51625966
[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4023539
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11692533
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68690019
1-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91551545
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11719753
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-phenylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68690266
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-pyridin-4-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11641270

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 51360410) is 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1ccc(-n2nnnc2C(CCc2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is REOVYWSWZAWMTB-MDWZMJQESA-N. The full InChI is InChI=1S/C30H34N6O/c1-37-28-17-15-27(16-18-28)36-30(31-32-33-36)29(19-14-26-11-6-3-7-12-26)35-23-21-34(22-24-35)20-8-13-25-9-4-2-5-10-25/h2-13,15-18,29H,14,19-24H2,1H3/b13-8+.
What are the key properties of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 494.64 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-3-phenylpropyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 51360410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).