methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate

C17H21N3O3 — CID 171618681

IUPACmethyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)N1CC(C)CCC1c1ccc2cn(C)nc2c1
InChIInChI=1S/C17H21N3O3/c1-11-4-7-15(20(9-11)16(21)17(22)23-3)12-5-6-13-10-19(2)18-14(13)8-12/h5-6,8,10-11,15H,4,7,9H2,1-3H3
InChIKeySJGDOTRLMTZNBF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.05
Rot. Bonds1

About methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate

methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate (PubChem CID 171618681) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate
PubChem CID171618681
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Namemethyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)N1CC(C)CCC1c1ccc2cn(C)nc2c1
InChIInChI=1S/C17H21N3O3/c1-11-4-7-15(20(9-11)16(21)17(22)23-3)12-5-6-13-10-19(2)18-14(13)8-12/h5-6,8,10-11,15H,4,7,9H2,1-3H3
InChIKeySJGDOTRLMTZNBF-UHFFFAOYSA-N
XLogP2.05
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate 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

2,2,2-trifluoroethyl 2-[(2R,5S)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetate
CID 169114017
N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-cyclopropyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetamide
CID 164966330
2,2,2-trifluoroethyl 2-chloro-2-oxoacetate;2,2,2-trifluoroethyl 2-[(2R,5S)-2-(2-ethylindazol-6-yl)-5-methylpiperidin-1-yl]-2-oxoacetate
CID 175932501
2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022662
ethyl 2-[5-methyl-2-(4-methylphenyl)piperidin-1-yl]-2-oxoacetate
CID 169115038
2-[(2R,5S)-5-methyl-2-(2-propan-2-ylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 169114595
2-methyl-6-(5-methylpiperidin-2-yl)indazole
CID 171618705
2-[(2R,5S)-5-methyl-2-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]piperidin-1-yl]-2-oxo-N-(3-oxo-[1,2]oxazolo[5,4-b]pyridin-5-yl)acetamide
CID 169112763
ethyl 2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetate
CID 164994233
2,2,2-trifluoroethyl 2-[(2R,5S)-5-methyl-2-[2-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetate
CID 169113552
5-[[2-[(2S,5R)-2-(3,4-dimethoxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164753537
2-[2-(2-ethoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169113224

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate?
The IUPAC name of methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate (CID 171618681) is methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate?
The canonical SMILES for methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate is COC(=O)C(=O)N1CC(C)CCC1c1ccc2cn(C)nc2c1.
What is the InChIKey of methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate?
The InChIKey is SJGDOTRLMTZNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-4-7-15(20(9-11)16(21)17(22)23-3)12-5-6-13-10-19(2)18-14(13)8-12/h5-6,8,10-11,15H,4,7,9H2,1-3H3.
What are the key properties of methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate?
methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate has a molecular weight of 315.37 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-2-(2-methylindazol-6-yl)piperidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 171618681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).