ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate

C16H21N3O2 — CID 124568084

IUPACethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(Cc2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C16H21N3O2/c1-2-21-16(20)14-4-3-7-19(11-14)10-12-5-6-13-9-17-18-15(13)8-12/h5-6,8-9,14H,2-4,7,10-11H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyWJSAWKRHTHPUII-CQSZACIVSA-N
MW287.36 g/mol
LogP2.34
Rot. Bonds4

About ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate

ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate (PubChem CID 124568084) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate
PubChem CID124568084
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(Cc2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C16H21N3O2/c1-2-21-16(20)14-4-3-7-19(11-14)10-12-5-6-13-9-17-18-15(13)8-12/h5-6,8-9,14H,2-4,7,10-11H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyWJSAWKRHTHPUII-CQSZACIVSA-N
XLogP2.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763085
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
(1R)-1-[(3S)-1-(1H-indazol-6-ylmethyl)piperidin-3-yl]ethanol
CID 99640635
ethyl (3R)-1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-3-carboxylate
CID 66926766
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate
CID 62470917
ethyl (3R)-1-[(4-cyanophenyl)methyl]piperidine-3-carboxylate
CID 40800844
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41315370
ethyl (3R)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41244131
ethyl (3R)-1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 1376817

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate (CID 124568084) is ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(Cc2ccc3cn[nH]c3c2)C1.
What is the InChIKey of ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate?
The InChIKey is WJSAWKRHTHPUII-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-21-16(20)14-4-3-7-19(11-14)10-12-5-6-13-9-17-18-15(13)8-12/h5-6,8-9,14H,2-4,7,10-11H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate?
ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 124568084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).