1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one

C10H17N5O — CID 107061884

IUPAC1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
SMILESCn1nnc(CC(=O)CC2CCNCC2)n1
InChIInChI=1S/C10H17N5O/c1-15-13-10(12-14-15)7-9(16)6-8-2-4-11-5-3-8/h8,11H,2-7H2,1H3
InChIKeyVXRHROUFQLTECS-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.29
Rot. Bonds4

About 1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one

1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one (PubChem CID 107061884) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
PubChem CID107061884
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
SMILESCn1nnc(CC(=O)CC2CCNCC2)n1
InChIInChI=1S/C10H17N5O/c1-15-13-10(12-14-15)7-9(16)6-8-2-4-11-5-3-8/h8,11H,2-7H2,1H3
InChIKeyVXRHROUFQLTECS-UHFFFAOYSA-N
XLogP-0.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methyltetrazol-5-yl)-4-piperidin-4-ylbutan-2-one
CID 107061940
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-(1,3-dioxolan-2-yl)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107063454
1-(2-methyltetrazol-5-yl)-3-morpholin-2-ylpropan-2-one
CID 107062212
1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
1-(2-methyltetrazol-5-yl)-4-piperidin-3-ylpentan-2-one
CID 107062305
4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047263
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-cycloheptyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047149
1-ethylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047098

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one (CID 107061884) is 1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one is Cn1nnc(CC(=O)CC2CCNCC2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one?
The InChIKey is VXRHROUFQLTECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-13-10(12-14-15)7-9(16)6-8-2-4-11-5-3-8/h8,11H,2-7H2,1H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one?
1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one has a molecular weight of 223.28 g/mol, XLogP of -0.29, 4 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)-3-piperidin-4-ylpropan-2-one is sourced from PubChem (CID 107061884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).