1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine

C21H32N6O2 — CID 3209334

IUPAC1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H32N6O2/c1-28-16-15-27-21(22-23-24-27)20(17-7-9-19(29-2)10-8-17)26-13-11-25(12-14-26)18-5-3-4-6-18/h7-10,18,20H,3-6,11-16H2,1-2H3
InChIKeyPRWSMLJWHZRGEC-UHFFFAOYSA-N
MW400.53 g/mol
LogP1.98
Rot. Bonds8

About 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine

1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine (PubChem CID 3209334) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
PubChem CID3209334
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Name1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H32N6O2/c1-28-16-15-27-21(22-23-24-27)20(17-7-9-19(29-2)10-8-17)26-13-11-25(12-14-26)18-5-3-4-6-18/h7-10,18,20H,3-6,11-16H2,1-2H3
InChIKeyPRWSMLJWHZRGEC-UHFFFAOYSA-N
XLogP1.98
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclopentyl-4-[(R)-(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 7391672
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209976
(8aS)-2-[(S)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 7140758
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 3209327
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 3209284
1-cyclohexyl-4-[(4-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine;hydrochloride
CID 171668235
1-(4-fluorophenyl)-4-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 7388479
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazine
CID 3209273
3-[(R)-(4-cyclohexylpiperazin-1-yl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 28503422
1-[(1-cyclopentyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-methylpiperazine
CID 3777246
1-cyclopentyl-4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-fluorophenyl)methyl]piperazine
CID 3210602

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine (CID 3209334) is 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine is COCCn1nnnc1C(c1ccc(OC)cc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine?
The InChIKey is PRWSMLJWHZRGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-28-16-15-27-21(22-23-24-27)20(17-7-9-19(29-2)10-8-17)26-13-11-25(12-14-26)18-5-3-4-6-18/h7-10,18,20H,3-6,11-16H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine?
1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine has a molecular weight of 400.53 g/mol, XLogP of 1.98, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3209334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).