1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

C19H22N4O3 — CID 90560043

IUPAC1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)CC1=O
InChIInChI=1S/C19H22N4O3/c1-22-12-13(10-18(22)24)19(25)23-8-6-14(7-9-23)26-17-11-20-15-4-2-3-5-16(15)21-17/h2-5,11,13-14H,6-10,12H2,1H3
InChIKeyIESQHIATVMSOAE-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.48
Rot. Bonds3

About 1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 90560043) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID90560043
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)CC1=O
InChIInChI=1S/C19H22N4O3/c1-22-12-13(10-18(22)24)19(25)23-8-6-14(7-9-23)26-17-11-20-15-4-2-3-5-16(15)21-17/h2-5,11,13-14H,6-10,12H2,1H3
InChIKeyIESQHIATVMSOAE-UHFFFAOYSA-N
XLogP1.48
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-methyl-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 97104979
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 126850655
1-methyl-4-(3-pyridin-2-yloxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 122247283
1-methyl-4-[4-(2-phenylethoxy)piperidine-1-carbonyl]pyrrolidin-2-one
CID 75462351
ethyl 2-oxo-2-(4-quinoxalin-2-yloxypiperidin-1-yl)acetate
CID 90559847
1-adamantyl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559841
(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559886
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871
2-[4-oxo-4-(4-quinoxalin-2-yloxypiperidin-1-yl)butyl]isoindole-1,3-dione
CID 90560034
(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126852268

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (CID 90560043) is 1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is CN1CC(C(=O)N2CCC(Oc3cnc4ccccc4n3)CC2)CC1=O.
What is the InChIKey of 1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is IESQHIATVMSOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22-12-13(10-18(22)24)19(25)23-8-6-14(7-9-23)26-17-11-20-15-4-2-3-5-16(15)21-17/h2-5,11,13-14H,6-10,12H2,1H3.
What are the key properties of 1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-quinoxalin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 90560043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).