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

C16H21N3O3 — CID 91918253

IUPAC1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N3O3/c1-21-10-11-22-12-6-8-19(9-7-12)16(20)15-13-4-2-3-5-14(13)17-18-15/h2-5,12H,6-11H2,1H3,(H,17,18)
InChIKeyUSBSINLZTILDGX-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.83
Rot. Bonds5

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

1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone (PubChem CID 91918253) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
PubChem CID91918253
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C16H21N3O3/c1-21-10-11-22-12-6-8-19(9-7-12)16(20)15-13-4-2-3-5-14(13)17-18-15/h2-5,12H,6-11H2,1H3,(H,17,18)
InChIKeyUSBSINLZTILDGX-UHFFFAOYSA-N
XLogP1.83
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1H-indazol-3-yl-[4-(2-methoxyethoxy)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-phenoxyethoxy)piperidin-1-yl]methanone
CID 91907824
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
1H-indazol-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 87053093
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
(4-amino-3-ethylpiperidin-1-yl)-(1H-indazol-3-yl)methanone
CID 81457192
1H-indazol-3-yl-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97128822
N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide
CID 155946339

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone (CID 91918253) is 1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone is COCCOC1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is USBSINLZTILDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-10-11-22-12-6-8-19(9-7-12)16(20)15-13-4-2-3-5-14(13)17-18-15/h2-5,12H,6-11H2,1H3,(H,17,18).
What are the key properties of 1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone?
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 303.36 g/mol, XLogP of 1.83, 5 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-methoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91918253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).