1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone

C15H19N5O — CID 895545

IUPAC1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCC1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C15H19N5O/c1-12-7-9-19(10-8-12)14(21)11-20-17-15(16-18-20)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyXREHKQUBVIDGBG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.60
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 895545) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID895545
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
SMILESCC1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C15H19N5O/c1-12-7-9-19(10-8-12)14(21)11-20-17-15(16-18-20)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyXREHKQUBVIDGBG-UHFFFAOYSA-N
XLogP1.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone (CID 895545) is 1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone is CC1CCN(C(=O)Cn2nnc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is XREHKQUBVIDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12-7-9-19(10-8-12)14(21)11-20-17-15(16-18-20)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 895545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).