[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate

C16H19N3O3 — CID 2998731

IUPAC[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C16H19N3O3/c1-11-5-4-8-19(9-11)14(20)10-22-16(21)15-12-6-2-3-7-13(12)17-18-15/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyNHYHSGRRDLTSJM-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.98
Rot. Bonds3

About [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2998731) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2998731
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C16H19N3O3/c1-11-5-4-8-19(9-11)14(20)10-22-16(21)15-12-6-2-3-7-13(12)17-18-15/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyNHYHSGRRDLTSJM-UHFFFAOYSA-N
XLogP1.98
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2998731) is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate is CC1CCCN(C(=O)COC(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is NHYHSGRRDLTSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-5-4-8-19(9-11)14(20)10-22-16(21)15-12-6-2-3-7-13(12)17-18-15/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,17,18).
What are the key properties of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2998731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).