1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one

C26H28N4O4 — CID 46389291

IUPAC1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC(c4noc(-c5ccc(C)cc5)n4)CC3)CC2=O)cc1
InChIInChI=1S/C26H28N4O4/c1-17-3-5-19(6-4-17)25-27-24(28-34-25)18-11-13-29(14-12-18)26(32)20-15-23(31)30(16-20)21-7-9-22(33-2)10-8-21/h3-10,18,20H,11-16H2,1-2H3
InChIKeyZSABZZWFCDDBLO-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one

1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 46389291) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID46389291
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCC(c4noc(-c5ccc(C)cc5)n4)CC3)CC2=O)cc1
InChIInChI=1S/C26H28N4O4/c1-17-3-5-19(6-4-17)25-27-24(28-34-25)18-11-13-29(14-12-18)26(32)20-15-23(31)30(16-20)21-7-9-22(33-2)10-8-21/h3-10,18,20H,11-16H2,1-2H3
InChIKeyZSABZZWFCDDBLO-UHFFFAOYSA-N
XLogP3.81
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1-(4-methoxyphenyl)-4-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 92896437
(4R)-4-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92896461
(4S)-4-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 99742075
1-(4-methoxyphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119563790
(4S)-4-[5-(4-methoxy-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99741958
1-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 42534317
N-[1-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 94091199
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247
4-[4-(methylamino)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one;hydrochloride
CID 119563164
1-(4-methoxyphenyl)-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90566419
N-(2,4-dimethoxyphenyl)-1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964094
(4R)-1-(4-methylphenyl)-4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-2-one
CID 94199968

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 46389291) is 1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCC(c4noc(-c5ccc(C)cc5)n4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ZSABZZWFCDDBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-17-3-5-19(6-4-17)25-27-24(28-34-25)18-11-13-29(14-12-18)26(32)20-15-23(31)30(16-20)21-7-9-22(33-2)10-8-21/h3-10,18,20H,11-16H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 460.53 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 46389291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).