1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

C23H27N3O3 — CID 71798630

IUPAC1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(Oc4ccccn4)CC3)CC2=O)cc1C
InChIInChI=1S/C23H27N3O3/c1-16-6-7-19(13-17(16)2)26-15-18(14-22(26)27)23(28)25-11-8-20(9-12-25)29-21-5-3-4-10-24-21/h3-7,10,13,18,20H,8-9,11-12,14-15H2,1-2H3
InChIKeyIJWYREWMCGNDRO-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.12
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 71798630) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID71798630
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(Oc4ccccn4)CC3)CC2=O)cc1C
InChIInChI=1S/C23H27N3O3/c1-16-6-7-19(13-17(16)2)26-15-18(14-22(26)27)23(28)25-11-8-20(9-12-25)29-21-5-3-4-10-24-21/h3-7,10,13,18,20H,8-9,11-12,14-15H2,1-2H3
InChIKeyIJWYREWMCGNDRO-UHFFFAOYSA-N
XLogP3.12
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 97104979
1-(3,4-dimethylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186142
1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636988
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
1-(4-methoxyphenyl)-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247205
(4R)-4-[4-[(6-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97427086
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90558754
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 119105504
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121190934
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 90627494
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (CID 71798630) is 1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCC(Oc4ccccn4)CC3)CC2=O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is IJWYREWMCGNDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-6-7-19(13-17(16)2)26-15-18(14-22(26)27)23(28)25-11-8-20(9-12-25)29-21-5-3-4-10-24-21/h3-7,10,13,18,20H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 71798630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).