methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate

C16H19N3O3 — CID 155960813

IUPACmethyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cc2[nH]ncc2cc1C
InChIInChI=1S/C16H19N3O3/c1-10-7-11-9-17-18-13(11)8-12(10)15(20)19-6-4-3-5-14(19)16(21)22-2/h7-9,14H,3-6H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyHQAHMGIJAPIHJW-CQSZACIVSA-N
MW301.35 g/mol
LogP2.04
Rot. Bonds2

About methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate

methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate (PubChem CID 155960813) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate
PubChem CID155960813
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cc2[nH]ncc2cc1C
InChIInChI=1S/C16H19N3O3/c1-10-7-11-9-17-18-13(11)8-12(10)15(20)19-6-4-3-5-14(19)16(21)22-2/h7-9,14H,3-6H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeyHQAHMGIJAPIHJW-CQSZACIVSA-N
XLogP2.04
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 113330671
methyl 1-(5-amino-2,4-dimethylbenzoyl)pyrrolidine-2-carboxylate
CID 102705020
methyl 1-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylate
CID 78842938
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429
methyl (2S)-1-(5-methoxy-4-methyl-2-nitrobenzoyl)piperidine-2-carboxylate
CID 161119246
methyl 1-(5-bromo-2-chloropyridine-3-carbonyl)piperidine-2-carboxylate
CID 62000438
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 115280024
methyl 1-(2-methyl-5-methylsulfanylbenzoyl)pyrrolidine-2-carboxylate
CID 43423145
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate (CID 155960813) is methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cc2[nH]ncc2cc1C.
What is the InChIKey of methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate?
The InChIKey is HQAHMGIJAPIHJW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-7-11-9-17-18-13(11)8-12(10)15(20)19-6-4-3-5-14(19)16(21)22-2/h7-9,14H,3-6H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(5-methyl-1H-indazole-6-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 155960813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).