N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

C18H30N4O — CID 5309025

IUPACN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCc2nn(CC(=O)NCCN3CCCCC3C)cc2C1
InChIInChI=1S/C18H30N4O/c1-14-6-7-17-16(11-14)12-22(20-17)13-18(23)19-8-10-21-9-4-3-5-15(21)2/h12,14-15H,3-11,13H2,1-2H3,(H,19,23)
InChIKeyNXDWOZOSVJJQCF-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.00
Rot. Bonds5

About N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309025) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309025
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCc2nn(CC(=O)NCCN3CCCCC3C)cc2C1
InChIInChI=1S/C18H30N4O/c1-14-6-7-17-16(11-14)12-22(20-17)13-18(23)19-8-10-21-9-4-3-5-15(21)2/h12,14-15H,3-11,13H2,1-2H3,(H,19,23)
InChIKeyNXDWOZOSVJJQCF-UHFFFAOYSA-N
XLogP2.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309025) is N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is CC1CCc2nn(CC(=O)NCCN3CCCCC3C)cc2C1.
What is the InChIKey of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is NXDWOZOSVJJQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14-6-7-17-16(11-14)12-22(20-17)13-18(23)19-8-10-21-9-4-3-5-15(21)2/h12,14-15H,3-11,13H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 318.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).