ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate

C15H27N7O3 — CID 42566349

IUPACethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1
InChIInChI=1S/C15H27N7O3/c1-5-25-15(24)21-8-6-20(7-9-21)14(23)11-22-13(16-17-18-22)10-19(4)12(2)3/h12H,5-11H2,1-4H3
InChIKeyYVJFTQNZJNJHNH-UHFFFAOYSA-N
MW353.43 g/mol
LogP-0.19
Rot. Bonds6

About ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate (PubChem CID 42566349) has the molecular formula C15H27N7O3 and a molecular weight of 353.43 g/mol. Its IUPAC name is ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate
PubChem CID42566349
Molecular FormulaC15H27N7O3
Molecular Weight353.43 g/mol
Exact Mass353.22
IUPAC Nameethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1
InChIInChI=1S/C15H27N7O3/c1-5-25-15(24)21-8-6-20(7-9-21)14(23)11-22-13(16-17-18-22)10-19(4)12(2)3/h12H,5-11H2,1-4H3
InChIKeyYVJFTQNZJNJHNH-UHFFFAOYSA-N
XLogP-0.19
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate (CID 42566349) is ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cn2nnnc2CN(C)C(C)C)CC1.
What is the InChIKey of ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is YVJFTQNZJNJHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N7O3/c1-5-25-15(24)21-8-6-20(7-9-21)14(23)11-22-13(16-17-18-22)10-19(4)12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 353.43 g/mol, XLogP of -0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 42566349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).