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

C19H36N6 — CID 654968

IUPAC1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H36N6/c1-5-9-17(18-20-21-22-25(18)19(3,4)6-2)24-14-12-23(13-15-24)16-10-7-8-11-16/h16-17H,5-15H2,1-4H3
InChIKeySPEDDQJABAUJIR-UHFFFAOYSA-N
MW348.54 g/mol
LogP3.22
Rot. Bonds7

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

1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine (PubChem CID 654968) has the molecular formula C19H36N6 and a molecular weight of 348.54 g/mol. Its IUPAC name is 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
PubChem CID654968
Molecular FormulaC19H36N6
Molecular Weight348.54 g/mol
Exact Mass348.30
IUPAC Name1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H36N6/c1-5-9-17(18-20-21-22-25(18)19(3,4)6-2)24-14-12-23(13-15-24)16-10-7-8-11-16/h16-17H,5-15H2,1-4H3
InChIKeySPEDDQJABAUJIR-UHFFFAOYSA-N
XLogP3.22
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine (CID 654968) is 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1C(C)(C)CC)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is SPEDDQJABAUJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6/c1-5-9-17(18-20-21-22-25(18)19(3,4)6-2)24-14-12-23(13-15-24)16-10-7-8-11-16/h16-17H,5-15H2,1-4H3.
What are the key properties of 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 348.54 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 654968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).