1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone

C20H21N3O3 — CID 70783899

IUPAC1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccccc1OC1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21N3O3/c1-25-17-8-4-5-9-18(17)26-14-10-12-23(13-11-14)20(24)19-15-6-2-3-7-16(15)21-22-19/h2-9,14H,10-13H2,1H3,(H,21,22)
InChIKeyLLSBZNCOHOTBHQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.26
Rot. Bonds4

About 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone

1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone (PubChem CID 70783899) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
PubChem CID70783899
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCOc1ccccc1OC1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21N3O3/c1-25-17-8-4-5-9-18(17)26-14-10-12-23(13-11-14)20(24)19-15-6-2-3-7-16(15)21-22-19/h2-9,14H,10-13H2,1H3,(H,21,22)
InChIKeyLLSBZNCOHOTBHQ-UHFFFAOYSA-N
XLogP3.26
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31332821
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
1-[4-[(4S,5S)-5-hydroxy-1-(1H-indazole-3-carbonyl)azepan-4-yl]piperazin-1-yl]ethanone
CID 110158896
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone
CID 91907824
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
1H-indazol-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 87053093
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone (CID 70783899) is 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone is COc1ccccc1OC1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
The InChIKey is LLSBZNCOHOTBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-17-8-4-5-9-18(17)26-14-10-12-23(13-11-14)20(24)19-15-6-2-3-7-16(15)21-22-19/h2-9,14H,10-13H2,1H3,(H,21,22).
What are the key properties of 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70783899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).