2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone

C9H15N5O — CID 107061727

IUPAC2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone
SMILESCn1nnc(CC(=O)C2CCCCN2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-9(11-13-14)6-8(15)7-4-2-3-5-10-7/h7,10H,2-6H2,1H3
InChIKeyRVSOQMCOMYGYGQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.54
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone

2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone (PubChem CID 107061727) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone
PubChem CID107061727
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone
SMILESCn1nnc(CC(=O)C2CCCCN2)n1
InChIInChI=1S/C9H15N5O/c1-14-12-9(11-13-14)6-8(15)7-4-2-3-5-10-7/h7,10H,2-6H2,1H3
InChIKeyRVSOQMCOMYGYGQ-UHFFFAOYSA-N
XLogP-0.54
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone (CID 107061727) is 2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone is Cn1nnc(CC(=O)C2CCCCN2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone?
The InChIKey is RVSOQMCOMYGYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14-12-9(11-13-14)6-8(15)7-4-2-3-5-10-7/h7,10H,2-6H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone?
2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone has a molecular weight of 209.25 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-piperidin-2-ylethanone is sourced from PubChem (CID 107061727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).