2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone

C20H20N4O2 — CID 121150913

IUPAC2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C20H20N4O2/c25-20(23-12-10-18(14-23)24-13-11-21-22-24)15-26-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,11,13,18H,10,12,14-15H2
InChIKeyDDPGKGTVKCILOL-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.80
Rot. Bonds5

About 2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone

2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone (PubChem CID 121150913) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
PubChem CID121150913
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N1CCC(n2ccnn2)C1
InChIInChI=1S/C20H20N4O2/c25-20(23-12-10-18(14-23)24-13-11-21-22-24)15-26-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,11,13,18H,10,12,14-15H2
InChIKeyDDPGKGTVKCILOL-UHFFFAOYSA-N
XLogP2.80
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-1-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877292
1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-phenylphenoxy)ethanone
CID 35527670
N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 121150939
2-phenoxy-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110871172
[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877322
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589
2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110866981
1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 46704974
2-(4-chlorophenoxy)-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 121178537
3-[3-(4-fluorophenoxy)phenyl]-1-[3-(triazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 121150892
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
2-(2-fluorophenoxy)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121149899

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone (CID 121150913) is 2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone is O=C(COc1ccc(-c2ccccc2)cc1)N1CCC(n2ccnn2)C1.
What is the InChIKey of 2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is DDPGKGTVKCILOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(23-12-10-18(14-23)24-13-11-21-22-24)15-26-19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,11,13,18H,10,12,14-15H2.
What are the key properties of 2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone?
2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 348.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 121150913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).