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

C9H15N5O — CID 821927

IUPAC2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone
SMILESCc1nnnn1CC(=O)N1CCCCC1
InChIInChI=1S/C9H15N5O/c1-8-10-11-12-14(8)7-9(15)13-5-3-2-4-6-13/h2-7H2,1H3
InChIKeyWMUUSQLHYBSHBQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.01
Rot. Bonds2

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

2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 821927) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone
PubChem CID821927
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone
SMILESCc1nnnn1CC(=O)N1CCCCC1
InChIInChI=1S/C9H15N5O/c1-8-10-11-12-14(8)7-9(15)13-5-3-2-4-6-13/h2-7H2,1H3
InChIKeyWMUUSQLHYBSHBQ-UHFFFAOYSA-N
XLogP-0.01
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone (CID 821927) is 2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone is Cc1nnnn1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is WMUUSQLHYBSHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-8-10-11-12-14(8)7-9(15)13-5-3-2-4-6-13/h2-7H2,1H3.
What are the key properties of 2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone?
2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 209.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltetrazol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 821927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).