3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one

C8H13N5O — CID 107061686

IUPAC3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one
SMILESCn1nnc(CC2CCCNC2=O)n1
InChIInChI=1S/C8H13N5O/c1-13-11-7(10-12-13)5-6-3-2-4-9-8(6)14/h6H,2-5H2,1H3,(H,9,14)
InChIKeyZXTQEXRESVIREY-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.72
Rot. Bonds2

About 3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one

3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one (PubChem CID 107061686) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one
PubChem CID107061686
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one
SMILESCn1nnc(CC2CCCNC2=O)n1
InChIInChI=1S/C8H13N5O/c1-13-11-7(10-12-13)5-6-3-2-4-9-8(6)14/h6H,2-5H2,1H3,(H,9,14)
InChIKeyZXTQEXRESVIREY-UHFFFAOYSA-N
XLogP-0.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one (CID 107061686) is 3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one is Cn1nnc(CC2CCCNC2=O)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one?
The InChIKey is ZXTQEXRESVIREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c1-13-11-7(10-12-13)5-6-3-2-4-9-8(6)14/h6H,2-5H2,1H3,(H,9,14).
What are the key properties of 3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one?
3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one has a molecular weight of 195.23 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methyl]piperidin-2-one is sourced from PubChem (CID 107061686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).