1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium

C20H38N6O+2 — CID 7391894

IUPAC1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
SMILESCCCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C20H36N6O/c1-2-3-10-19(20-21-22-23-26(20)16-18-9-6-15-27-18)25-13-11-24(12-14-25)17-7-4-5-8-17/h17-19H,2-16H2,1H3/p+2/t18-,19+/m0/s1
InChIKeyGMHZTUATHNAEMF-RBUKOAKNSA-P
MW378.57 g/mol
LogP-0.19
Rot. Bonds8

About 1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium

1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium (PubChem CID 7391894) has the molecular formula C20H38N6O+2 and a molecular weight of 378.57 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
PubChem CID7391894
Molecular FormulaC20H38N6O+2
Molecular Weight378.57 g/mol
Exact Mass378.31
IUPAC Name1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
SMILESCCCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CC[NH+](C2CCCC2)CC1
InChIInChI=1S/C20H36N6O/c1-2-3-10-19(20-21-22-23-26(20)16-18-9-6-15-27-18)25-13-11-24(12-14-25)17-7-4-5-8-17/h17-19H,2-16H2,1H3/p+2/t18-,19+/m0/s1
InChIKeyGMHZTUATHNAEMF-RBUKOAKNSA-P
XLogP-0.19
TPSA61.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.57
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
CID 7391874
1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7391790
1-(4-methoxyphenyl)-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazin-4-ium
CID 7388917
1-(5-chloro-2-methylphenyl)-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazin-4-ium
CID 7098061
1-methyl-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7391796
1-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]-4-phenylpiperazin-1-ium
CID 7388793
1-(2,5-dimethylphenyl)-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazin-4-ium
CID 7388779
1-cyclohexyl-4-[(S)-(2-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7396111
1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazine-1,4-diium
CID 7391463
1-cyclohexyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 5011336
1-[(1S)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-cyclopentylpiperazine-1,4-diium
CID 7383587
1-cyclohexyl-4-[(1R)-1-(1-cyclopentyltetrazol-5-yl)butyl]piperazine-1,4-diium
CID 7383721

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium?
The IUPAC name of 1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium (CID 7391894) is 1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium.
What is the SMILES notation for 1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium?
The canonical SMILES for 1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium is CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CC[NH+](C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium?
The InChIKey is GMHZTUATHNAEMF-RBUKOAKNSA-P. The full InChI is InChI=1S/C20H36N6O/c1-2-3-10-19(20-21-22-23-26(20)16-18-9-6-15-27-18)25-13-11-24(12-14-25)17-7-4-5-8-17/h17-19H,2-16H2,1H3/p+2/t18-,19+/m0/s1.
What are the key properties of 1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium?
1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium has a molecular weight of 378.57 g/mol, XLogP of -0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium is sourced from PubChem (CID 7391894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).