1H-indazol-3-yl 4-methylpiperidine-1-carboxylate

C14H17N3O2 — CID 11184512

IUPAC1H-indazol-3-yl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C14H17N3O2/c1-10-6-8-17(9-7-10)14(18)19-13-11-4-2-3-5-12(11)15-16-13/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyQNTWNWVGVZKWJL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.79
Rot. Bonds1

About 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate

1H-indazol-3-yl 4-methylpiperidine-1-carboxylate (PubChem CID 11184512) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name1H-indazol-3-yl 4-methylpiperidine-1-carboxylate
PubChem CID11184512
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1H-indazol-3-yl 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C14H17N3O2/c1-10-6-8-17(9-7-10)14(18)19-13-11-4-2-3-5-12(11)15-16-13/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyQNTWNWVGVZKWJL-UHFFFAOYSA-N
XLogP2.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate?
The IUPAC name of 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate (CID 11184512) is 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)Oc2n[nH]c3ccccc23)CC1.
What is the InChIKey of 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate?
The InChIKey is QNTWNWVGVZKWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-6-8-17(9-7-10)14(18)19-13-11-4-2-3-5-12(11)15-16-13/h2-5,10H,6-9H2,1H3,(H,15,16).
What are the key properties of 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate?
1H-indazol-3-yl 4-methylpiperidine-1-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 11184512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).