1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone

C11H19N5O — CID 107061997

IUPAC1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCC1(C(=O)Cc2nnn(C)n2)CCNCC1
InChIInChI=1S/C11H19N5O/c1-3-11(4-6-12-7-5-11)9(17)8-10-13-15-16(2)14-10/h12H,3-8H2,1-2H3
InChIKeyZDYWSFMOUKJNAU-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.10
Rot. Bonds4

About 1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107061997) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107061997
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCC1(C(=O)Cc2nnn(C)n2)CCNCC1
InChIInChI=1S/C11H19N5O/c1-3-11(4-6-12-7-5-11)9(17)8-10-13-15-16(2)14-10/h12H,3-8H2,1-2H3
InChIKeyZDYWSFMOUKJNAU-UHFFFAOYSA-N
XLogP0.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107061997) is 1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone is CCC1(C(=O)Cc2nnn(C)n2)CCNCC1.
What is the InChIKey of 1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is ZDYWSFMOUKJNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-11(4-6-12-7-5-11)9(17)8-10-13-15-16(2)14-10/h12H,3-8H2,1-2H3.
What are the key properties of 1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 237.31 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107061997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).