(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone

C15H20N4O — CID 60905359

IUPAC(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C15H20N4O/c1-9-4-3-5-10(2)19(9)15(20)14-12-8-11(16)6-7-13(12)17-18-14/h6-10H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyPIFQHBHACUEEIO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds1

About (5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone

(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 60905359) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID60905359
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C15H20N4O/c1-9-4-3-5-10(2)19(9)15(20)14-12-8-11(16)6-7-13(12)17-18-14/h6-10H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyPIFQHBHACUEEIO-UHFFFAOYSA-N
XLogP2.55
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 60905359) is (5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of (5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is PIFQHBHACUEEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-4-3-5-10(2)19(9)15(20)14-12-8-11(16)6-7-13(12)17-18-14/h6-10H,3-5,16H2,1-2H3,(H,17,18).
What are the key properties of (5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 60905359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).