2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide

C25H32N4O3 — CID 134806130

IUPAC2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide
SMILESCN1CCC(NC(=O)C(C)(C)Oc2nn(CCOc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H32N4O3/c1-25(2,24(30)26-19-13-15-28(3)16-14-19)32-23-21-11-7-8-12-22(21)29(27-23)17-18-31-20-9-5-4-6-10-20/h4-12,19H,13-18H2,1-3H3,(H,26,30)
InChIKeyIGADPQPAGVSZAQ-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.48
Rot. Bonds8

About 2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide

2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide (PubChem CID 134806130) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide
PubChem CID134806130
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide
SMILESCN1CCC(NC(=O)C(C)(C)Oc2nn(CCOc3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C25H32N4O3/c1-25(2,24(30)26-19-13-15-28(3)16-14-19)32-23-21-11-7-8-12-22(21)29(27-23)17-18-31-20-9-5-4-6-10-20/h4-12,19H,13-18H2,1-3H3,(H,26,30)
InChIKeyIGADPQPAGVSZAQ-UHFFFAOYSA-N
XLogP3.48
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(1,3-dimethylindazol-4-yl)oxypropan-1-one
CID 45487316
N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
CID 11958688
N-(1-ethylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 48995254
2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylethanone
CID 127047643
2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 127047644
2,2-difluoro-N-[(1R,2S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propanamide
CID 145966634
N-[(1R,2S)-1-[1-(1-ethyl-6-oxo-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2,2-difluoropropanamide
CID 145972549
2,2-difluoro-N-[(1R,2S)-1-[1-(6-oxo-1-propyl-3-pyridinyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propanamide
CID 145975057
N-(2-methylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155516305
N-(2-ethylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155519116
N-(2-methylindazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 155532506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide?
The IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide (CID 134806130) is 2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide.
What is the SMILES notation for 2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide?
The canonical SMILES for 2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide is CN1CCC(NC(=O)C(C)(C)Oc2nn(CCOc3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide?
The InChIKey is IGADPQPAGVSZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-25(2,24(30)26-19-13-15-28(3)16-14-19)32-23-21-11-7-8-12-22(21)29(27-23)17-18-31-20-9-5-4-6-10-20/h4-12,19H,13-18H2,1-3H3,(H,26,30).
What are the key properties of 2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide?
2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide has a molecular weight of 436.56 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpiperidin-4-yl)-2-[1-(2-phenoxyethyl)indazol-3-yl]oxypropanamide is sourced from PubChem (CID 134806130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).