1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone

C19H26N4O3 — CID 53192145

IUPAC1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCOCCc1nc(C2CCCN(C(=O)COc3ccc(C)cc3)C2)n[nH]1
InChIInChI=1S/C19H26N4O3/c1-14-5-7-16(8-6-14)26-13-18(24)23-10-3-4-15(12-23)19-20-17(21-22-19)9-11-25-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,21,22)
InChIKeyIUMQPILSOIWSFC-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.09
Rot. Bonds7

About 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone

1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 53192145) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID53192145
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCOCCc1nc(C2CCCN(C(=O)COc3ccc(C)cc3)C2)n[nH]1
InChIInChI=1S/C19H26N4O3/c1-14-5-7-16(8-6-14)26-13-18(24)23-10-3-4-15(12-23)19-20-17(21-22-19)9-11-25-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,21,22)
InChIKeyIUMQPILSOIWSFC-UHFFFAOYSA-N
XLogP2.09
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone with MolForge

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Related Compounds

1-[(2R)-2-[3-(3-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68686301
1-[(2R)-2-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68686669
1-[(2R)-4-methyl-2-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 68687006
1-[(2R)-2-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689104
4-{5-[(4-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-YL}-N-propylpiperidine-1-carboxamide
CID 91909882
N-[[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]acetamide
CID 118738128
2-[(3-Methoxyphenyl)methoxy]-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51080869
1-[4-(5-Cyclopropyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]-2-(4-fluorophenoxy)ethan-1-one
CID 53192427
2-(4-Fluorophenoxy)-1-[4-(4-propyl-4H-1,2,4-triazol-3-YL)piperidin-1-YL]ethan-1-one
CID 53192588
2-[(4-Methoxyphenyl)methoxy]-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 53523938
1-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 53554023
4-[1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 53562945

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 53192145) is 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone is COCCc1nc(C2CCCN(C(=O)COc3ccc(C)cc3)C2)n[nH]1.
What is the InChIKey of 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is IUMQPILSOIWSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14-5-7-16(8-6-14)26-13-18(24)23-10-3-4-15(12-23)19-20-17(21-22-19)9-11-25-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 358.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 53192145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).