2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide

C16H22N4O — CID 95215204

IUPAC2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCN1CCC[C@H](CNC(=O)Cn2ncc3ccccc32)C1
InChIInChI=1S/C16H22N4O/c1-19-8-4-5-13(11-19)9-17-16(21)12-20-15-7-3-2-6-14(15)10-18-20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyNPHJDRSSFDZNCO-CYBMUJFWSA-N
MW286.38 g/mol
LogP1.49
Rot. Bonds4

About 2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide

2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide (PubChem CID 95215204) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
PubChem CID95215204
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
SMILESCN1CCC[C@H](CNC(=O)Cn2ncc3ccccc32)C1
InChIInChI=1S/C16H22N4O/c1-19-8-4-5-13(11-19)9-17-16(21)12-20-15-7-3-2-6-14(15)10-18-20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyNPHJDRSSFDZNCO-CYBMUJFWSA-N
XLogP1.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide (CID 95215204) is 2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide is CN1CCC[C@H](CNC(=O)Cn2ncc3ccccc32)C1.
What is the InChIKey of 2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
The InChIKey is NPHJDRSSFDZNCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-8-4-5-13(11-19)9-17-16(21)12-20-15-7-3-2-6-14(15)10-18-20/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3,(H,17,21)/t13-/m1/s1.
What are the key properties of 2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide?
2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95215204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).