(6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate

C14H18N4O2 — CID 11507344

IUPAC(6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2n[nH]c3cc(N)ccc23)CC1
InChIInChI=1S/C14H18N4O2/c1-9-4-6-18(7-5-9)14(19)20-13-11-3-2-10(15)8-12(11)16-17-13/h2-3,8-9H,4-7,15H2,1H3,(H,16,17)
InChIKeyQNQDSBZZRRWYKW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.38
Rot. Bonds1

About (6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate

(6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate (PubChem CID 11507344) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate
PubChem CID11507344
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2n[nH]c3cc(N)ccc23)CC1
InChIInChI=1S/C14H18N4O2/c1-9-4-6-18(7-5-9)14(19)20-13-11-3-2-10(15)8-12(11)16-17-13/h2-3,8-9H,4-7,15H2,1H3,(H,16,17)
InChIKeyQNQDSBZZRRWYKW-UHFFFAOYSA-N
XLogP2.38
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-indazol-3-yl 4-methylpiperidine-1-carboxylate
CID 11184512
[6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate
CID 67082368
1-O-benzyl 4-O-(6-fluoro-1H-indazol-3-yl) piperazine-1,4-dicarboxylate
CID 67082250
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
[4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate
CID 79337661
N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
CID 58135453
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
(4-amino-2-cyclopropylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 170995559
(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 60905359
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604993
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522

Frequently Asked Questions

What is the IUPAC name of (6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate?
The IUPAC name of (6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate (CID 11507344) is (6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for (6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate?
The canonical SMILES for (6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)Oc2n[nH]c3cc(N)ccc23)CC1.
What is the InChIKey of (6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate?
The InChIKey is QNQDSBZZRRWYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-4-6-18(7-5-9)14(19)20-13-11-3-2-10(15)8-12(11)16-17-13/h2-3,8-9H,4-7,15H2,1H3,(H,16,17).
What are the key properties of (6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate?
(6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1H-indazol-3-yl) 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 11507344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).