1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one

C11H19N5O — CID 107061940

IUPAC1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
SMILESCn1nnc(CC(=O)CCC2CCNCC2)n1
InChIInChI=1S/C11H19N5O/c1-16-14-11(13-15-16)8-10(17)3-2-9-4-6-12-7-5-9/h9,12H,2-8H2,1H3
InChIKeyGNOWXUITINZVOU-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.10
Rot. Bonds5

About 1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one

1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one (PubChem CID 107061940) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
PubChem CID107061940
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
SMILESCn1nnc(CC(=O)CCC2CCNCC2)n1
InChIInChI=1S/C11H19N5O/c1-16-14-11(13-15-16)8-10(17)3-2-9-4-6-12-7-5-9/h9,12H,2-8H2,1H3
InChIKeyGNOWXUITINZVOU-UHFFFAOYSA-N
XLogP0.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(azetidin-3-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107062169
1-(2-methyltetrazol-5-yl)-3-(thian-4-yl)propan-2-one
CID 107063286
1-(1-methylimidazol-2-yl)-4-piperidin-4-ylbutan-2-one
CID 116563440
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-(1-methyltriazol-4-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 107062450
1-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063454
1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
1-tert-butylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047104
1-(2-methyltetrazol-5-yl)-4-piperidin-3-ylpentan-2-one
CID 107062305
1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one (CID 107061940) is 1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one is Cn1nnc(CC(=O)CCC2CCNCC2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one?
The InChIKey is GNOWXUITINZVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16-14-11(13-15-16)8-10(17)3-2-9-4-6-12-7-5-9/h9,12H,2-8H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one?
1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one has a molecular weight of 237.31 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one is sourced from PubChem (CID 107061940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).