1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone

C15H23N3O — CID 5307111

IUPAC1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C15H23N3O/c1-12-6-8-17(9-7-12)15(19)11-18-10-13-4-2-3-5-14(13)16-18/h10,12H,2-9,11H2,1H3
InChIKeySYYZLFPQALBMHV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.02
Rot. Bonds2

About 1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone (PubChem CID 5307111) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
PubChem CID5307111
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C15H23N3O/c1-12-6-8-17(9-7-12)15(19)11-18-10-13-4-2-3-5-14(13)16-18/h10,12H,2-9,11H2,1H3
InChIKeySYYZLFPQALBMHV-UHFFFAOYSA-N
XLogP2.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone (CID 5307111) is 1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone is CC1CCN(C(=O)Cn2cc3c(n2)CCCC3)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
The InChIKey is SYYZLFPQALBMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-6-8-17(9-7-12)15(19)11-18-10-13-4-2-3-5-14(13)16-18/h10,12H,2-9,11H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)ethanone is sourced from PubChem (CID 5307111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).