1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine

C24H30N6O — CID 3208764

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N6O/c1-31-22-13-11-19(12-14-22)23(24-25-26-27-30(24)21-9-5-6-10-21)29-17-15-28(16-18-29)20-7-3-2-4-8-20/h2-4,7-8,11-14,21,23H,5-6,9-10,15-18H2,1H3
InChIKeyVTODYKQBSVCZCS-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.71
Rot. Bonds6

About 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine

1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine (PubChem CID 3208764) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
PubChem CID3208764
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C24H30N6O/c1-31-22-13-11-19(12-14-22)23(24-25-26-27-30(24)21-9-5-6-10-21)29-17-15-28(16-18-29)20-7-3-2-4-8-20/h2-4,7-8,11-14,21,23H,5-6,9-10,15-18H2,1H3
InChIKeyVTODYKQBSVCZCS-UHFFFAOYSA-N
XLogP3.71
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine (CID 3208764) is 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine is COc1ccc(C(c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine?
The InChIKey is VTODYKQBSVCZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-31-22-13-11-19(12-14-22)23(24-25-26-27-30(24)21-9-5-6-10-21)29-17-15-28(16-18-29)20-7-3-2-4-8-20/h2-4,7-8,11-14,21,23H,5-6,9-10,15-18H2,1H3.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine?
1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine has a molecular weight of 418.55 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 3208764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).