3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one

C13H23N5O — CID 107047226

IUPAC3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one
SMILESCCC(C)(C(=O)Cc1nnn(C)n1)N1CCCCC1
InChIInChI=1S/C13H23N5O/c1-4-13(2,18-8-6-5-7-9-18)11(19)10-12-14-16-17(3)15-12/h4-10H2,1-3H3
InChIKeyBOFZVXGYYPLWPF-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.98
Rot. Bonds5

About 3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one

3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one (PubChem CID 107047226) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one
PubChem CID107047226
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one
SMILESCCC(C)(C(=O)Cc1nnn(C)n1)N1CCCCC1
InChIInChI=1S/C13H23N5O/c1-4-13(2,18-8-6-5-7-9-18)11(19)10-12-14-16-17(3)15-12/h4-10H2,1-3H3
InChIKeyBOFZVXGYYPLWPF-UHFFFAOYSA-N
XLogP0.98
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one?
The IUPAC name of 3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one (CID 107047226) is 3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one?
The canonical SMILES for 3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one is CCC(C)(C(=O)Cc1nnn(C)n1)N1CCCCC1.
What is the InChIKey of 3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one?
The InChIKey is BOFZVXGYYPLWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-13(2,18-8-6-5-7-9-18)11(19)10-12-14-16-17(3)15-12/h4-10H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one?
3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyltetrazol-5-yl)-3-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 107047226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).