1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one

C18H24N4O3 — CID 72940900

IUPAC1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one
SMILESCOCCN1CC(c2ncnn2Cc2cccc(OC)c2)CCC1=O
InChIInChI=1S/C18H24N4O3/c1-24-9-8-21-12-15(6-7-17(21)23)18-19-13-20-22(18)11-14-4-3-5-16(10-14)25-2/h3-5,10,13,15H,6-9,11-12H2,1-2H3
InChIKeyLLKSSINUMHOVRN-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.69
Rot. Bonds7

About 1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one

1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one (PubChem CID 72940900) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one
PubChem CID72940900
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one
SMILESCOCCN1CC(c2ncnn2Cc2cccc(OC)c2)CCC1=O
InChIInChI=1S/C18H24N4O3/c1-24-9-8-21-12-15(6-7-17(21)23)18-19-13-20-22(18)11-14-4-3-5-16(10-14)25-2/h3-5,10,13,15H,6-9,11-12H2,1-2H3
InChIKeyLLKSSINUMHOVRN-UHFFFAOYSA-N
XLogP1.69
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one
CID 97211071
1-[(3-methoxyphenyl)methyl]-5-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-2-one
CID 72876939
(5S)-1-[(3-methoxyphenyl)methyl]-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97130321
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 165417368
1-(2-methoxyethyl)-6-phenylazepan-2-one
CID 22293183
1-[(3-methoxyphenyl)methyl]-5-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72889204
(4R)-1-[[2-[(3-methoxyphenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]methyl]-4-phenylpyrrolidin-2-one
CID 97125209
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
4-(2-methoxyethyl)-1-[(3-phenylmethoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26356168
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
(4S)-4-[2-benzyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 97451960
5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 72925631

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one (CID 72940900) is 1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one is COCCN1CC(c2ncnn2Cc2cccc(OC)c2)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one?
The InChIKey is LLKSSINUMHOVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-24-9-8-21-12-15(6-7-17(21)23)18-19-13-20-22(18)11-14-4-3-5-16(10-14)25-2/h3-5,10,13,15H,6-9,11-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one?
1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-[2-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-2-one is sourced from PubChem (CID 72940900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).