[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone

C15H20N4O2 — CID 115963335

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCOC1CCN(C(=O)c2n[nH]c3ccccc23)C(CN)C1
InChIInChI=1S/C15H20N4O2/c1-21-11-6-7-19(10(8-11)9-16)15(20)14-12-4-2-3-5-13(12)17-18-14/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)
InChIKeyQZEMMTKRLSTGJD-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.14
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 115963335) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID115963335
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone
SMILESCOC1CCN(C(=O)c2n[nH]c3ccccc23)C(CN)C1
InChIInChI=1S/C15H20N4O2/c1-21-11-6-7-19(10(8-11)9-16)15(20)14-12-4-2-3-5-13(12)17-18-14/h2-5,10-11H,6-9,16H2,1H3,(H,17,18)
InChIKeyQZEMMTKRLSTGJD-UHFFFAOYSA-N
XLogP1.14
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 112622199
[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 49049226
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112622381
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 115963360
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
1H-indazol-3-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820474
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410192
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-bromothiophen-2-yl)methanone
CID 112622357
[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 99714903
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone (CID 115963335) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone is COC1CCN(C(=O)c2n[nH]c3ccccc23)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is QZEMMTKRLSTGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-21-11-6-7-19(10(8-11)9-16)15(20)14-12-4-2-3-5-13(12)17-18-14/h2-5,10-11H,6-9,16H2,1H3,(H,17,18).
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 115963335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).