(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C15H23N3O — CID 110674214

IUPAC(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H23N3O/c1-10-6-5-7-11(2)18(10)15(19)14-12-8-3-4-9-13(12)16-17-14/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyOAPLLQBNEIMJDV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds1

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

(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 110674214) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID110674214
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H23N3O/c1-10-6-5-7-11(2)18(10)15(19)14-12-8-3-4-9-13(12)16-17-14/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyOAPLLQBNEIMJDV-UHFFFAOYSA-N
XLogP2.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 110674214) is (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is CC1CCCC(C)N1C(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is OAPLLQBNEIMJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-6-5-7-11(2)18(10)15(19)14-12-8-3-4-9-13(12)16-17-14/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 110674214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).