1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone

C10H15N5O2 — CID 58664368

IUPAC1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESCC(=O)C1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C10H15N5O2/c1-8(16)9-2-4-14(5-3-9)10(17)6-15-7-11-12-13-15/h7,9H,2-6H2,1H3
InChIKeyJNZOLRUWZQYUEU-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.50
Rot. Bonds3

About 1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone

1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone (PubChem CID 58664368) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
PubChem CID58664368
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
SMILESCC(=O)C1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C10H15N5O2/c1-8(16)9-2-4-14(5-3-9)10(17)6-15-7-11-12-13-15/h7,9H,2-6H2,1H3
InChIKeyJNZOLRUWZQYUEU-UHFFFAOYSA-N
XLogP-0.50
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone (CID 58664368) is 1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone is CC(=O)C1CCN(C(=O)Cn2cnnn2)CC1.
What is the InChIKey of 1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is JNZOLRUWZQYUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-8(16)9-2-4-14(5-3-9)10(17)6-15-7-11-12-13-15/h7,9H,2-6H2,1H3.
What are the key properties of 1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone?
1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 237.26 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 58664368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).