2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone

C17H23N5O2 — CID 3171709

IUPAC2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCCOc1ccc(-c2nnn(CC(=O)N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C17H23N5O2/c1-3-24-15-8-6-14(7-9-15)17-18-20-22(19-17)12-16(23)21-10-4-5-13(2)11-21/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyRCLILEHQDZYASG-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.00
Rot. Bonds5

About 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone

2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 3171709) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID3171709
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCCOc1ccc(-c2nnn(CC(=O)N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C17H23N5O2/c1-3-24-15-8-6-14(7-9-15)17-18-20-22(19-17)12-16(23)21-10-4-5-13(2)11-21/h6-9,13H,3-5,10-12H2,1-2H3
InChIKeyRCLILEHQDZYASG-UHFFFAOYSA-N
XLogP2.00
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone (CID 3171709) is 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone is CCOc1ccc(-c2nnn(CC(=O)N3CCCC(C)C3)n2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is RCLILEHQDZYASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-24-15-8-6-14(7-9-15)17-18-20-22(19-17)12-16(23)21-10-4-5-13(2)11-21/h6-9,13H,3-5,10-12H2,1-2H3.
What are the key properties of 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone?
2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3171709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).