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

C18H25N5O2 — CID 3170935

IUPAC1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
SMILESCCCOc1ccc(-c2nnn(CC(=O)N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C18H25N5O2/c1-3-12-25-16-6-4-15(5-7-16)18-19-21-23(20-18)13-17(24)22-10-8-14(2)9-11-22/h4-7,14H,3,8-13H2,1-2H3
InChIKeyHUOVWHKKIXQRAZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.39
Rot. Bonds6

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

1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone (PubChem CID 3170935) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
PubChem CID3170935
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
SMILESCCCOc1ccc(-c2nnn(CC(=O)N3CCC(C)CC3)n2)cc1
InChIInChI=1S/C18H25N5O2/c1-3-12-25-16-6-4-15(5-7-16)18-19-21-23(20-18)13-17(24)22-10-8-14(2)9-11-22/h4-7,14H,3,8-13H2,1-2H3
InChIKeyHUOVWHKKIXQRAZ-UHFFFAOYSA-N
XLogP2.39
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone (CID 3170935) is 1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone is CCCOc1ccc(-c2nnn(CC(=O)N3CCC(C)CC3)n2)cc1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
The InChIKey is HUOVWHKKIXQRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-12-25-16-6-4-15(5-7-16)18-19-21-23(20-18)13-17(24)22-10-8-14(2)9-11-22/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 3170935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).