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

C21H23N3O3 — CID 91907824

IUPAC1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(OCCOc2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c25-21(20-18-8-4-5-9-19(18)22-23-20)24-12-10-17(11-13-24)27-15-14-26-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,22,23)
InChIKeyNROCPKXEAMYJPE-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.26
Rot. Bonds6

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

1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone (PubChem CID 91907824) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone
PubChem CID91907824
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCC(OCCOc2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c25-21(20-18-8-4-5-9-19(18)22-23-20)24-12-10-17(11-13-24)27-15-14-26-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,22,23)
InChIKeyNROCPKXEAMYJPE-UHFFFAOYSA-N
XLogP3.26
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.26
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-phenoxyethoxy)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
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-(4-phenylpiperidin-1-yl)methanone
CID 143724811
1-[4-(2-phenoxyethoxy)piperidin-1-yl]ethanone
CID 91918409
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
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-phenoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone (CID 91907824) is 1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone is O=C(c1n[nH]c2ccccc12)N1CCC(OCCOc2ccccc2)CC1.
What is the InChIKey of 1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is NROCPKXEAMYJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-21(20-18-8-4-5-9-19(18)22-23-20)24-12-10-17(11-13-24)27-15-14-26-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,22,23).
What are the key properties of 1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone?
1H-indazol-3-yl-[4-(2-phenoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 365.43 g/mol, XLogP of 3.26, 6 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-phenoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91907824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).