N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C17H28N4O — CID 6623677

IUPACN-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCCCN1CCCCC1
InChIInChI=1S/C17H28N4O/c22-17(18-9-6-12-20-10-4-1-5-11-20)14-21-13-15-7-2-3-8-16(15)19-21/h13H,1-12,14H2,(H,18,22)
InChIKeyQLCFGDUPSIOXKL-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.75
Rot. Bonds6

About N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 6623677) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID6623677
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCCCN1CCCCC1
InChIInChI=1S/C17H28N4O/c22-17(18-9-6-12-20-10-4-1-5-11-20)14-21-13-15-7-2-3-8-16(15)19-21/h13H,1-12,14H2,(H,18,22)
InChIKeyQLCFGDUPSIOXKL-UHFFFAOYSA-N
XLogP1.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
CID 5307336
N-(2,3-dimethylcyclohexyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307420
N-[2-(cyclohexen-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307608
1-(Azepan-1-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308236
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-morpholin-4-ylpropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309028
N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309109
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(3-propylsulfanylpropyl)acetamide
CID 5309215
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

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 6623677) is N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCCCC1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is QLCFGDUPSIOXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c22-17(18-9-6-12-20-10-4-1-5-11-20)14-21-13-15-7-2-3-8-16(15)19-21/h13H,1-12,14H2,(H,18,22).
What are the key properties of N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 6623677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).