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

C16H24N4O3 — CID 3237937

IUPACethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C16H24N4O3/c1-2-23-16(22)19-9-7-18(8-10-19)15(21)12-20-11-13-5-3-4-6-14(13)17-20/h11H,2-10,12H2,1H3
InChIKeyMPVJXVLTCCVDNG-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.06
Rot. Bonds3

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

ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate (PubChem CID 3237937) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate
PubChem CID3237937
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nameethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C16H24N4O3/c1-2-23-16(22)19-9-7-18(8-10-19)15(21)12-20-11-13-5-3-4-6-14(13)17-20/h11H,2-10,12H2,1H3
InChIKeyMPVJXVLTCCVDNG-UHFFFAOYSA-N
XLogP1.06
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Azepan-1-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308236
ethyl 4-[[2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308521
Ethyl 4-[[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308852
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309025
N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309109
N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309319
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5309454
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[[3-(1-acetylpiperidin-4-yl)-1-methylpyrazol-4-yl]methyl]piperazine-1-carboxylate
CID 155526799
ethyl 4-{[(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetyl]amino}piperidine-1-carboxylate
CID 3239522
N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307472
1-Pyrrolidin-1-yl-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308409

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate (CID 3237937) is ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1.
What is the InChIKey of ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is MPVJXVLTCCVDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-2-23-16(22)19-9-7-18(8-10-19)15(21)12-20-11-13-5-3-4-6-14(13)17-20/h11H,2-10,12H2,1H3.
What are the key properties of ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 3237937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).