2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one

C13H21N3O — CID 105496823

IUPAC2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCN1CCC(n2[nH]c3c(c2=O)CCCC3)CC1
InChIInChI=1S/C13H21N3O/c1-15-8-6-10(7-9-15)16-13(17)11-4-2-3-5-12(11)14-16/h10,14H,2-9H2,1H3
InChIKeyLVUDLTRVZSAUPW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.32
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one

2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one (PubChem CID 105496823) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
PubChem CID105496823
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILESCN1CCC(n2[nH]c3c(c2=O)CCCC3)CC1
InChIInChI=1S/C13H21N3O/c1-15-8-6-10(7-9-15)16-13(17)11-4-2-3-5-12(11)14-16/h10,14H,2-9H2,1H3
InChIKeyLVUDLTRVZSAUPW-UHFFFAOYSA-N
XLogP1.32
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one (CID 105496823) is 2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one is CN1CCC(n2[nH]c3c(c2=O)CCCC3)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
The InChIKey is LVUDLTRVZSAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-8-6-10(7-9-15)16-13(17)11-4-2-3-5-12(11)14-16/h10,14H,2-9H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one?
2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one has a molecular weight of 235.33 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one is sourced from PubChem (CID 105496823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).