cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

C12H19N5O — CID 110196509

IUPACcyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nnnc1C1CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C12H19N5O/c1-16-11(13-14-15-16)10-6-3-7-17(8-10)12(18)9-4-2-5-9/h9-10H,2-8H2,1H3
InChIKeyOBCUAAWAEXGTKK-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.72
Rot. Bonds2

About cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196509) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196509
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Namecyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nnnc1C1CCCN(C(=O)C2CCC2)C1
InChIInChI=1S/C12H19N5O/c1-16-11(13-14-15-16)10-6-3-7-17(8-10)12(18)9-4-2-5-9/h9-10H,2-8H2,1H3
InChIKeyOBCUAAWAEXGTKK-UHFFFAOYSA-N
XLogP0.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (CID 110196509) is cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is Cn1nnnc1C1CCCN(C(=O)C2CCC2)C1.
What is the InChIKey of cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is OBCUAAWAEXGTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16-11(13-14-15-16)10-6-3-7-17(8-10)12(18)9-4-2-5-9/h9-10H,2-8H2,1H3.
What are the key properties of cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 249.32 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).