1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine

C20H29ClN6O — CID 3209315

IUPAC1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
SMILESCOCCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H29ClN6O/c1-28-15-14-27-20(22-23-24-27)19(16-6-8-17(21)9-7-16)26-12-10-25(11-13-26)18-4-2-3-5-18/h6-9,18-19H,2-5,10-15H2,1H3
InChIKeyCQUJTAVAXIFIQM-UHFFFAOYSA-N
MW404.95 g/mol
LogP2.62
Rot. Bonds7

About 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine

1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine (PubChem CID 3209315) has the molecular formula C20H29ClN6O and a molecular weight of 404.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
PubChem CID3209315
Molecular FormulaC20H29ClN6O
Molecular Weight404.95 g/mol
Exact Mass404.21
IUPAC Name1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
SMILESCOCCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H29ClN6O/c1-28-15-14-27-20(22-23-24-27)19(16-6-8-17(21)9-7-16)26-12-10-25(11-13-26)18-4-2-3-5-18/h6-9,18-19H,2-5,10-15H2,1H3
InChIKeyCQUJTAVAXIFIQM-UHFFFAOYSA-N
XLogP2.62
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.95
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine?
The IUPAC name of 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine (CID 3209315) is 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine is COCCn1nnnc1C(c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine?
The InChIKey is CQUJTAVAXIFIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN6O/c1-28-15-14-27-20(22-23-24-27)19(16-6-8-17(21)9-7-16)26-12-10-25(11-13-26)18-4-2-3-5-18/h6-9,18-19H,2-5,10-15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine?
1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine has a molecular weight of 404.95 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-cyclopentylpiperazine is sourced from PubChem (CID 3209315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).