2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone

C16H20ClN3O — CID 22510006

IUPAC2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)Cn2ncc3ccc(Cl)cc32)C1
InChIInChI=1S/C16H20ClN3O/c1-11-5-12(2)9-19(8-11)16(21)10-20-15-6-14(17)4-3-13(15)7-18-20/h3-4,6-7,11-12H,5,8-10H2,1-2H3
InChIKeyNJNUFOUBXNQRMK-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.19
Rot. Bonds2

About 2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 22510006) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID22510006
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)Cn2ncc3ccc(Cl)cc32)C1
InChIInChI=1S/C16H20ClN3O/c1-11-5-12(2)9-19(8-11)16(21)10-20-15-6-14(17)4-3-13(15)7-18-20/h3-4,6-7,11-12H,5,8-10H2,1-2H3
InChIKeyNJNUFOUBXNQRMK-UHFFFAOYSA-N
XLogP3.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 22510006) is 2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)Cn2ncc3ccc(Cl)cc32)C1.
What is the InChIKey of 2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is NJNUFOUBXNQRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11-5-12(2)9-19(8-11)16(21)10-20-15-6-14(17)4-3-13(15)7-18-20/h3-4,6-7,11-12H,5,8-10H2,1-2H3.
What are the key properties of 2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 305.81 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindazol-1-yl)-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 22510006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).