1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine

C26H34N6O2 — CID 650183

IUPAC1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine
SMILESCOc1cccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)c1OC
InChIInChI=1S/C26H34N6O2/c1-33-23-14-8-13-22(25(23)34-2)24(31-17-15-30(16-18-31)21-11-6-7-12-21)26-27-28-29-32(26)19-20-9-4-3-5-10-20/h3-5,8-10,13-14,21,24H,6-7,11-12,15-19H2,1-2H3
InChIKeyIDPCEAGXLYFHFT-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.39
Rot. Bonds8

About 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine

1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine (PubChem CID 650183) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine
PubChem CID650183
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine
SMILESCOc1cccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)c1OC
InChIInChI=1S/C26H34N6O2/c1-33-23-14-8-13-22(25(23)34-2)24(31-17-15-30(16-18-31)21-11-6-7-12-21)26-27-28-29-32(26)19-20-9-4-3-5-10-20/h3-5,8-10,13-14,21,24H,6-7,11-12,15-19H2,1-2H3
InChIKeyIDPCEAGXLYFHFT-UHFFFAOYSA-N
XLogP3.39
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine (CID 650183) is 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine is COc1cccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCC3)CC2)c1OC.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine?
The InChIKey is IDPCEAGXLYFHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-33-23-14-8-13-22(25(23)34-2)24(31-17-15-30(16-18-31)21-11-6-7-12-21)26-27-28-29-32(26)19-20-9-4-3-5-10-20/h3-5,8-10,13-14,21,24H,6-7,11-12,15-19H2,1-2H3.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine?
1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine has a molecular weight of 462.60 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 650183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).