6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one

C27H34N4O4 — CID 159042765

IUPAC6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCOc1cccc(-c2ccc(-c3noc(CCN4CCCCC4)n3)c(=O)n2CC(=O)CC(C)C)c1
InChIInChI=1S/C27H34N4O4/c1-19(2)16-21(32)18-31-24(20-8-7-9-22(17-20)34-3)11-10-23(27(31)33)26-28-25(35-29-26)12-15-30-13-5-4-6-14-30/h7-11,17,19H,4-6,12-16,18H2,1-3H3
InChIKeyMJTOUDGNJXWOEV-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.22
Rot. Bonds10

About 6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one

6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (PubChem CID 159042765) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
PubChem CID159042765
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one
SMILESCOc1cccc(-c2ccc(-c3noc(CCN4CCCCC4)n3)c(=O)n2CC(=O)CC(C)C)c1
InChIInChI=1S/C27H34N4O4/c1-19(2)16-21(32)18-31-24(20-8-7-9-22(17-20)34-3)11-10-23(27(31)33)26-28-25(35-29-26)12-15-30-13-5-4-6-14-30/h7-11,17,19H,4-6,12-16,18H2,1-3H3
InChIKeyMJTOUDGNJXWOEV-UHFFFAOYSA-N
XLogP4.22
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4,5-dibromo-2-(3-methoxyphenyl)imidazol-1-yl]-4-methylpentan-2-one
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CID 154798020
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
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(3R)-3-ethyl-4-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperazin-2-one
CID 92613300
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 55509844
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
N-[3-(azepan-1-yl)propyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851549
1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 5041524
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetyl chloride
CID 82518551
(1S,8R)-9-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154822449
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
N-cyclohexyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The IUPAC name of 6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one (CID 159042765) is 6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The canonical SMILES for 6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is COc1cccc(-c2ccc(-c3noc(CCN4CCCCC4)n3)c(=O)n2CC(=O)CC(C)C)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
The InChIKey is MJTOUDGNJXWOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-19(2)16-21(32)18-31-24(20-8-7-9-22(17-20)34-3)11-10-23(27(31)33)26-28-25(35-29-26)12-15-30-13-5-4-6-14-30/h7-11,17,19H,4-6,12-16,18H2,1-3H3.
What are the key properties of 6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one?
6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one has a molecular weight of 478.59 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-1-(4-methyl-2-oxopentyl)-3-[5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2-one is sourced from PubChem (CID 159042765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).