1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride

C24H37ClN6O2 — CID 6602629

IUPAC1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1OC.Cl
InChIInChI=1S/C24H36N6O2.ClH/c1-31-21-12-11-18(17-22(21)32-2)23(24-25-26-27-30(24)20-9-5-6-10-20)29-15-13-28(14-16-29)19-7-3-4-8-19;/h11-12,17,19-20,23H,3-10,13-16H2,1-2H3;1H
InChIKeyCFTAFOAUACGZIQ-UHFFFAOYSA-N
MW477.05 g/mol
LogP3.88
Rot. Bonds7

About 1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride

1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride (PubChem CID 6602629) has the molecular formula C24H37ClN6O2 and a molecular weight of 477.05 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride
PubChem CID6602629
Molecular FormulaC24H37ClN6O2
Molecular Weight477.05 g/mol
Exact Mass476.27
IUPAC Name1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1OC.Cl
InChIInChI=1S/C24H36N6O2.ClH/c1-31-21-12-11-18(17-22(21)32-2)23(24-25-26-27-30(24)20-9-5-6-10-20)29-15-13-28(14-16-29)19-7-3-4-8-19;/h11-12,17,19-20,23H,3-10,13-16H2,1-2H3;1H
InChIKeyCFTAFOAUACGZIQ-UHFFFAOYSA-N
XLogP3.88
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.05
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride (CID 6602629) is 1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride is COc1ccc(C(c2nnnn2C2CCCC2)N2CCN(C3CCCC3)CC2)cc1OC.Cl.
What is the InChIKey of 1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride?
The InChIKey is CFTAFOAUACGZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2.ClH/c1-31-21-12-11-18(17-22(21)32-2)23(24-25-26-27-30(24)20-9-5-6-10-20)29-15-13-28(14-16-29)19-7-3-4-8-19;/h11-12,17,19-20,23H,3-10,13-16H2,1-2H3;1H.
What are the key properties of 1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride?
1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride has a molecular weight of 477.05 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(1-cyclopentyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 6602629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).