1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

C17H23N5O — CID 3170399

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3C(C)CCCC3C)n2)cc1
InChIInChI=1S/C17H23N5O/c1-12-7-9-15(10-8-12)17-18-20-21(19-17)11-16(23)22-13(2)5-4-6-14(22)3/h7-10,13-14H,4-6,11H2,1-3H3
InChIKeyODVQPHBIGXAPBJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.44
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (PubChem CID 3170399) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
PubChem CID3170399
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
SMILESCc1ccc(-c2nnn(CC(=O)N3C(C)CCCC3C)n2)cc1
InChIInChI=1S/C17H23N5O/c1-12-7-9-15(10-8-12)17-18-20-21(19-17)11-16(23)22-13(2)5-4-6-14(22)3/h7-10,13-14H,4-6,11H2,1-3H3
InChIKeyODVQPHBIGXAPBJ-UHFFFAOYSA-N
XLogP2.44
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone (CID 3170399) is 1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is Cc1ccc(-c2nnn(CC(=O)N3C(C)CCCC3C)n2)cc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is ODVQPHBIGXAPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-7-9-15(10-8-12)17-18-20-21(19-17)11-16(23)22-13(2)5-4-6-14(22)3/h7-10,13-14H,4-6,11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 3170399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).