4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide

C17H23BrN6O2 — CID 655627

IUPAC4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCOCCn1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H23BrN6O2/c1-26-11-10-24-16(20-21-22-24)12-23-8-6-15(7-9-23)19-17(25)13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3,(H,19,25)
InChIKeyXZPIKKBLGZVSCL-UHFFFAOYSA-N
MW423.32 g/mol
LogP1.48
Rot. Bonds7

About 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide

4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 655627) has the molecular formula C17H23BrN6O2 and a molecular weight of 423.32 g/mol. Its IUPAC name is 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
PubChem CID655627
Molecular FormulaC17H23BrN6O2
Molecular Weight423.32 g/mol
Exact Mass422.11
IUPAC Name4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide
SMILESCOCCn1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H23BrN6O2/c1-26-11-10-24-16(20-21-22-24)12-23-8-6-15(7-9-23)19-17(25)13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3,(H,19,25)
InChIKeyXZPIKKBLGZVSCL-UHFFFAOYSA-N
XLogP1.48
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide 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 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide (CID 655627) is 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is COCCn1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is XZPIKKBLGZVSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN6O2/c1-26-11-10-24-16(20-21-22-24)12-23-8-6-15(7-9-23)19-17(25)13-2-4-14(18)5-3-13/h2-5,15H,6-12H2,1H3,(H,19,25).
What are the key properties of 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide?
4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 423.32 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 655627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).