1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

C20H36N6O — CID 654137

IUPAC1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H36N6O/c1-16(2)14-19(20-21-22-23-26(20)15-18-8-5-13-27-18)25-11-9-24(10-12-25)17-6-3-4-7-17/h16-19H,3-15H2,1-2H3
InChIKeyWXHLEJHCXOGUNW-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.50
Rot. Bonds7

About 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 654137) has the molecular formula C20H36N6O and a molecular weight of 376.55 g/mol. Its IUPAC name is 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID654137
Molecular FormulaC20H36N6O
Molecular Weight376.55 g/mol
Exact Mass376.30
IUPAC Name1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H36N6O/c1-16(2)14-19(20-21-22-23-26(20)15-18-8-5-13-27-18)25-11-9-24(10-12-25)17-6-3-4-7-17/h16-19H,3-15H2,1-2H3
InChIKeyWXHLEJHCXOGUNW-UHFFFAOYSA-N
XLogP2.50
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (CID 654137) is 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is CC(C)CC(c1nnnn1CC1CCCO1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is WXHLEJHCXOGUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O/c1-16(2)14-19(20-21-22-23-26(20)15-18-8-5-13-27-18)25-11-9-24(10-12-25)17-6-3-4-7-17/h16-19H,3-15H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 376.55 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 654137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).