1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one

C18H22N4O — CID 126899358

IUPAC1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nc2ccccc2nc1N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C18H22N4O/c1-13-18(20-16-6-3-2-5-15(16)19-13)21-11-8-14(9-12-21)22-10-4-7-17(22)23/h2-3,5-6,14H,4,7-12H2,1H3
InChIKeyFEWRNZZZFHPIDD-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.53
Rot. Bonds2

About 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one

1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899358) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899358
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one
SMILESCc1nc2ccccc2nc1N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C18H22N4O/c1-13-18(20-16-6-3-2-5-15(16)19-13)21-11-8-14(9-12-21)22-10-4-7-17(22)23/h2-3,5-6,14H,4,7-12H2,1H3
InChIKeyFEWRNZZZFHPIDD-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-4-yl]pyrrolidin-2-one
CID 138042688
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133421983
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
1-[1-(3-amino-2-pyridinyl)piperidin-4-yl]piperidin-2-one
CID 71155695
4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
CID 172900398
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899475
1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 123480114
2-methyl-3-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947305
1-[4-[[3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]quinoxalin-2-yl]amino]cyclohexyl]piperidin-2-one
CID 167802123
N-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyridin-2-amine
CID 155976483
2-[2-(bromomethyl)azepan-1-yl]-3-methylquinoxaline
CID 116638816
1-[1-(2-methyl-2-phenylpropyl)piperidin-4-yl]pyrrolidin-2-one
CID 86782293

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one (CID 126899358) is 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one is Cc1nc2ccccc2nc1N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is FEWRNZZZFHPIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-18(20-16-6-3-2-5-15(16)19-13)21-11-8-14(9-12-21)22-10-4-7-17(22)23/h2-3,5-6,14H,4,7-12H2,1H3.
What are the key properties of 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one?
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).