1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone

C15H29N7O2 — CID 26333201

IUPAC1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
SMILESCOCCN1CCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1
InChIInChI=1S/C15H29N7O2/c1-13(2)19(3)11-14-16-17-18-22(14)12-15(23)21-7-5-20(6-8-21)9-10-24-4/h13H,5-12H2,1-4H3
InChIKeyFZUKRLUIZBNKRA-UHFFFAOYSA-N
MW339.44 g/mol
LogP-0.70
Rot. Bonds8

About 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone

1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone (PubChem CID 26333201) has the molecular formula C15H29N7O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
PubChem CID26333201
Molecular FormulaC15H29N7O2
Molecular Weight339.44 g/mol
Exact Mass339.24
IUPAC Name1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
SMILESCOCCN1CCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1
InChIInChI=1S/C15H29N7O2/c1-13(2)19(3)11-14-16-17-18-22(14)12-15(23)21-7-5-20(6-8-21)9-10-24-4/h13H,5-12H2,1-4H3
InChIKeyFZUKRLUIZBNKRA-UHFFFAOYSA-N
XLogP-0.70
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone (CID 26333201) is 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone is COCCN1CCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1.
What is the InChIKey of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The InChIKey is FZUKRLUIZBNKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N7O2/c1-13(2)19(3)11-14-16-17-18-22(14)12-15(23)21-7-5-20(6-8-21)9-10-24-4/h13H,5-12H2,1-4H3.
What are the key properties of 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of -0.70, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethyl)piperazin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 26333201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).