1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride

C24H37ClN6O3 — CID 6602686

IUPAC1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCOc1ccc(OC)c(C(c2nnnn2CC2CCCO2)N2CCN(C3CCCC3)CC2)c1.Cl
InChIInChI=1S/C24H36N6O3.ClH/c1-31-19-9-10-22(32-2)21(16-19)23(24-25-26-27-30(24)17-20-8-5-15-33-20)29-13-11-28(12-14-29)18-6-3-4-7-18;/h9-10,16,18,20,23H,3-8,11-15,17H2,1-2H3;1H
InChIKeyNISLQBKPYOAFBX-UHFFFAOYSA-N
MW493.05 g/mol
LogP2.94
Rot. Bonds8

About 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride

1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (PubChem CID 6602686) has the molecular formula C24H37ClN6O3 and a molecular weight of 493.05 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
PubChem CID6602686
Molecular FormulaC24H37ClN6O3
Molecular Weight493.05 g/mol
Exact Mass492.26
IUPAC Name1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCOc1ccc(OC)c(C(c2nnnn2CC2CCCO2)N2CCN(C3CCCC3)CC2)c1.Cl
InChIInChI=1S/C24H36N6O3.ClH/c1-31-19-9-10-22(32-2)21(16-19)23(24-25-26-27-30(24)17-20-8-5-15-33-20)29-13-11-28(12-14-29)18-6-3-4-7-18;/h9-10,16,18,20,23H,3-8,11-15,17H2,1-2H3;1H
InChIKeyNISLQBKPYOAFBX-UHFFFAOYSA-N
XLogP2.94
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.05
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride with MolForge

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Related Compounds

1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclohexyl-piperazine
CID 645920
2-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(2-methoxy-phenyl)-methyl]-octahydro-pyrrolo[1,2-a]pyrazine
CID 650070
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,5-dimethoxy-phenyl)-methyl]-piperidine-4-carboxylic acid amide
CID 654515
1-Benzyl-4-[(2,5-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 3209195
1-[(2-Methoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
CID 3209579
2-{(2,5-Dimethoxy-phenyl)-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-methyl}-1,2,3,4-tetrahydro-isoquinoline
CID 6602592
1-[(1-Benzyl-1H-tetrazol-5-yl)-(2,3-dimethoxy-phenyl)-methyl]-4-cyclopentyl-piperazine
CID 6602633
1-Cyclopentyl-4-{[1-(4-methoxy-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperazine
CID 6602647
1-Cyclopentyl-4-[(3,4-dimethoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6603005
1-Benzo[1,3]dioxol-5-ylmethyl-4-{3-methyl-1-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 6603049
1-Cyclopentyl-4-[(4-methoxy-phenyl)-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 6603101
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-methyl-piperidine
CID 6603172

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (CID 6602686) is 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is COc1ccc(OC)c(C(c2nnnn2CC2CCCO2)N2CCN(C3CCCC3)CC2)c1.Cl.
What is the InChIKey of 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The InChIKey is NISLQBKPYOAFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O3.ClH/c1-31-19-9-10-22(32-2)21(16-19)23(24-25-26-27-30(24)17-20-8-5-15-33-20)29-13-11-28(12-14-29)18-6-3-4-7-18;/h9-10,16,18,20,23H,3-8,11-15,17H2,1-2H3;1H.
What are the key properties of 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride has a molecular weight of 493.05 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 6602686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).