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

C21H34N6O2+2 — CID 7391651

IUPAC1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCOCCn1nnnc1[C@@H](c1ccccc1OC)[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C21H32N6O2/c1-28-16-15-27-21(22-23-24-27)20(18-9-5-6-10-19(18)29-2)26-13-11-25(12-14-26)17-7-3-4-8-17/h5-6,9-10,17,20H,3-4,7-8,11-16H2,1-2H3/p+2/t20-/m1/s1
InChIKeyIMUOBQXCIZXKTH-HXUWFJFHSA-P
MW402.54 g/mol
LogP-0.86
Rot. Bonds8

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

1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium (PubChem CID 7391651) has the molecular formula C21H34N6O2+2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium
PubChem CID7391651
Molecular FormulaC21H34N6O2+2
Molecular Weight402.54 g/mol
Exact Mass402.27
IUPAC Name1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCOCCn1nnnc1[C@@H](c1ccccc1OC)[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C21H32N6O2/c1-28-16-15-27-21(22-23-24-27)20(18-9-5-6-10-19(18)29-2)26-13-11-25(12-14-26)17-7-3-4-8-17/h5-6,9-10,17,20H,3-4,7-8,11-16H2,1-2H3/p+2/t20-/m1/s1
InChIKeyIMUOBQXCIZXKTH-HXUWFJFHSA-P
XLogP-0.86
TPSA70.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium with MolForge

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Related Compounds

1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
CID 7391551
1-cyclopentyl-4-[(S)-(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7391665
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7391655
1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium
CID 7391463
1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397256
1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397433
1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
CID 7391705
1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7397408
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide
CID 7391555
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-prop-2-enylpiperazine-1,4-diium
CID 7383893
1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7205379
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7388386

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium?
The IUPAC name of 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium (CID 7391651) is 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium?
The canonical SMILES for 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium is COCCn1nnnc1[C@@H](c1ccccc1OC)[NH+]1CC[NH+](C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium?
The InChIKey is IMUOBQXCIZXKTH-HXUWFJFHSA-P. The full InChI is InChI=1S/C21H32N6O2/c1-28-16-15-27-21(22-23-24-27)20(18-9-5-6-10-19(18)29-2)26-13-11-25(12-14-26)17-7-3-4-8-17/h5-6,9-10,17,20H,3-4,7-8,11-16H2,1-2H3/p+2/t20-/m1/s1.
What are the key properties of 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium?
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium has a molecular weight of 402.54 g/mol, XLogP of -0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium is sourced from PubChem (CID 7391651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).