methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate

C15H17N3O3 — CID 43410335

IUPACmethyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C15H17N3O3/c1-21-15(20)10-4-6-18(7-5-10)14(19)11-2-3-12-9-16-17-13(12)8-11/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyJIEPLAQQAAVRGL-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.59
Rot. Bonds2

About methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate

methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate (PubChem CID 43410335) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
PubChem CID43410335
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C15H17N3O3/c1-21-15(20)10-4-6-18(7-5-10)14(19)11-2-3-12-9-16-17-13(12)8-11/h2-3,8-10H,4-7H2,1H3,(H,16,17)
InChIKeyJIEPLAQQAAVRGL-UHFFFAOYSA-N
XLogP1.59
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
[4-(2-hydroxyethoxy)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 82015840
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 79038789
1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114539393
methyl 1-(4-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 61041768
1H-indazol-6-yl-(2-methylpyrrolidin-1-yl)methanone
CID 62906843
3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
CID 115970007
methyl 1-(6-fluoropyridine-3-carbonyl)piperidine-4-carboxylate
CID 63973141
methyl 1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
CID 103762652

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate (CID 43410335) is methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate?
The InChIKey is JIEPLAQQAAVRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-15(20)10-4-6-18(7-5-10)14(19)11-2-3-12-9-16-17-13(12)8-11/h2-3,8-10H,4-7H2,1H3,(H,16,17).
What are the key properties of methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate?
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43410335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).