1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine

C22H34N6 — CID 3209096

IUPAC1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
SMILESCCC(C)(C)n1nnnc1C(c1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H34N6/c1-4-22(2,3)28-21(23-24-25-28)20(18-10-6-5-7-11-18)27-16-14-26(15-17-27)19-12-8-9-13-19/h5-7,10-11,19-20H,4,8-9,12-17H2,1-3H3
InChIKeyRICIYDPAFRUQID-UHFFFAOYSA-N
MW382.56 g/mol
LogP3.47
Rot. Bonds6

About 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine

1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine (PubChem CID 3209096) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
PubChem CID3209096
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine
SMILESCCC(C)(C)n1nnnc1C(c1ccccc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H34N6/c1-4-22(2,3)28-21(23-24-25-28)20(18-10-6-5-7-11-18)27-16-14-26(15-17-27)19-12-8-9-13-19/h5-7,10-11,19-20H,4,8-9,12-17H2,1-3H3
InChIKeyRICIYDPAFRUQID-UHFFFAOYSA-N
XLogP3.47
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine 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-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperazin-1-yl)methyl)phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44158698
3-[(4-Benzyl-piperidin-1-yl)-(1-tert-butyl-1H-tetrazol-5-yl)-methyl]-benzonitrile
CID 645425
1-Benzhydryl-4-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-ylmethyl]-piperazine
CID 3209083
[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-diethyl-amine
CID 6603118
1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cyclobutyl-1,4-diazepane
CID 44159170
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-methyl-1,4-diazepane
CID 49865047
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-ethyl-1,4-diazepane
CID 49865048
1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)methyl)-4-cyclopentyl-1,4-diazepane
CID 49865109
1-[4-(5-Benzhydryltetrazol-1-yl)butyl]-4-benzylpiperazine
CID 137656433
(4-{(4-Cyclohexyl-piperazin-1-yl)-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-methyl}-phenyl)-dimethyl-amine
CID 646036
1-[(1-Benzyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-4-methyl-piperazine
CID 646451
1-Cyclopentyl-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647025

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine (CID 3209096) is 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine is CCC(C)(C)n1nnnc1C(c1ccccc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine?
The InChIKey is RICIYDPAFRUQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6/c1-4-22(2,3)28-21(23-24-25-28)20(18-10-6-5-7-11-18)27-16-14-26(15-17-27)19-12-8-9-13-19/h5-7,10-11,19-20H,4,8-9,12-17H2,1-3H3.
What are the key properties of 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine?
1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine has a molecular weight of 382.56 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-phenylmethyl]piperazine is sourced from PubChem (CID 3209096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).