[4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate

C17H23N3O2 — CID 174731871

IUPAC[4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2[nH]nc3ccccc23)CC1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)16(21)22-20-10-8-12(9-11-20)15-13-6-4-5-7-14(13)18-19-15/h4-7,12H,8-11H2,1-3H3,(H,18,19)
InChIKeyXXZNAEMJLGTWPW-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.25
Rot. Bonds2

About [4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174731871) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174731871
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2[nH]nc3ccccc23)CC1
InChIInChI=1S/C17H23N3O2/c1-17(2,3)16(21)22-20-10-8-12(9-11-20)15-13-6-4-5-7-14(13)18-19-15/h4-7,12H,8-11H2,1-3H3,(H,18,19)
InChIKeyXXZNAEMJLGTWPW-UHFFFAOYSA-N
XLogP3.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174616710
tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate
CID 167016405
[4-(naphthalen-1-ylmethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174776993
[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174622965
1-[4-(6-bromo-2H-indazol-3-yl)piperidin-1-yl]ethanone
CID 23048212
1-[4-[3-[4-(2H-indazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 15840012
tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate
CID 167016878
[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174813867
[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175267602
[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174667909
[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174721981
tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate
CID 170992050

Frequently Asked Questions

What is the IUPAC name of [4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174731871) is [4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(c2[nH]nc3ccccc23)CC1.
What is the InChIKey of [4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is XXZNAEMJLGTWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)16(21)22-20-10-8-12(9-11-20)15-13-6-4-5-7-14(13)18-19-15/h4-7,12H,8-11H2,1-3H3,(H,18,19).
What are the key properties of [4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 301.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174731871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).