N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide

C16H24N4O2 — CID 146552688

IUPACN-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2nn(C)c3c2CCCC3)CC1
InChIInChI=1S/C16H24N4O2/c1-11(21)17-12-7-9-20(10-8-12)16(22)15-13-5-3-4-6-14(13)19(2)18-15/h12H,3-10H2,1-2H3,(H,17,21)
InChIKeyIYWMIEAXZXOMNS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.04
Rot. Bonds2

About N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide

N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 146552688) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID146552688
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2nn(C)c3c2CCCC3)CC1
InChIInChI=1S/C16H24N4O2/c1-11(21)17-12-7-9-20(10-8-12)16(22)15-13-5-3-4-6-14(13)19(2)18-15/h12H,3-10H2,1-2H3,(H,17,21)
InChIKeyIYWMIEAXZXOMNS-UHFFFAOYSA-N
XLogP1.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide (CID 146552688) is N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2nn(C)c3c2CCCC3)CC1.
What is the InChIKey of N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is IYWMIEAXZXOMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(21)17-12-7-9-20(10-8-12)16(22)15-13-5-3-4-6-14(13)19(2)18-15/h12H,3-10H2,1-2H3,(H,17,21).
What are the key properties of N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide?
N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 146552688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).