ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate

C17H25N3O3 — CID 53298251

IUPACethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C17H25N3O3/c1-2-23-17(22)13-7-9-19(10-8-13)16(21)12-20-11-14-5-3-4-6-15(14)18-20/h11,13H,2-10,12H2,1H3
InChIKeyFZQIYCJUHYFRMI-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.56
Rot. Bonds4

About ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate (PubChem CID 53298251) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate
PubChem CID53298251
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nameethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C17H25N3O3/c1-2-23-17(22)13-7-9-19(10-8-13)16(21)12-20-11-14-5-3-4-6-15(14)18-20/h11,13H,2-10,12H2,1H3
InChIKeyFZQIYCJUHYFRMI-UHFFFAOYSA-N
XLogP1.56
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate (CID 53298251) is ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1.
What is the InChIKey of ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is FZQIYCJUHYFRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-23-17(22)13-7-9-19(10-8-13)16(21)12-20-11-14-5-3-4-6-15(14)18-20/h11,13H,2-10,12H2,1H3.
What are the key properties of ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 319.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 53298251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).