4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one

C11H19N5O — CID 13103358

IUPAC4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one
SMILESCc1nnnn1CCCC(=O)N1CCCCC1
InChIInChI=1S/C11H19N5O/c1-10-12-13-14-16(10)9-5-6-11(17)15-7-3-2-4-8-15/h2-9H2,1H3
InChIKeyCMKCLPJSHGCGGE-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.77
Rot. Bonds4

About 4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one

4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one (PubChem CID 13103358) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one
PubChem CID13103358
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one
SMILESCc1nnnn1CCCC(=O)N1CCCCC1
InChIInChI=1S/C11H19N5O/c1-10-12-13-14-16(10)9-5-6-11(17)15-7-3-2-4-8-15/h2-9H2,1H3
InChIKeyCMKCLPJSHGCGGE-UHFFFAOYSA-N
XLogP0.77
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one (CID 13103358) is 4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one is Cc1nnnn1CCCC(=O)N1CCCCC1.
What is the InChIKey of 4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one?
The InChIKey is CMKCLPJSHGCGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-10-12-13-14-16(10)9-5-6-11(17)15-7-3-2-4-8-15/h2-9H2,1H3.
What are the key properties of 4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one?
4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one has a molecular weight of 237.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 13103358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).