1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid

C18H21N3O5 — CID 119176060

IUPAC1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid
SMILESO=C1CN(C(=O)CCC(=O)N2CCCCC2C(=O)O)c2ccccc2N1
InChIInChI=1S/C18H21N3O5/c22-15-11-21(13-6-2-1-5-12(13)19-15)17(24)9-8-16(23)20-10-4-3-7-14(20)18(25)26/h1-2,5-6,14H,3-4,7-11H2,(H,19,22)(H,25,26)
InChIKeyIIEDYWOEFDNKGW-UHFFFAOYSA-N
MW359.38 g/mol
LogP1.22
Rot. Bonds4

About 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid

1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid (PubChem CID 119176060) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid
PubChem CID119176060
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid
SMILESO=C1CN(C(=O)CCC(=O)N2CCCCC2C(=O)O)c2ccccc2N1
InChIInChI=1S/C18H21N3O5/c22-15-11-21(13-6-2-1-5-12(13)19-15)17(24)9-8-16(23)20-10-4-3-7-14(20)18(25)26/h1-2,5-6,14H,3-4,7-11H2,(H,19,22)(H,25,26)
InChIKeyIIEDYWOEFDNKGW-UHFFFAOYSA-N
XLogP1.22
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione;hydrochloride
CID 119633446
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756
(2R)-1-[(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 7097372
N-cycloheptyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35806320
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
N-[2-(cycloheptylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
CID 119620738
1-O-tert-butyl 2-O-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908664
N,N-dimethyl-1-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 47015502
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
4-[2-[(2R)-2-benzylpyrrolidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 32745687
2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid
CID 119213630

Frequently Asked Questions

What is the IUPAC name of 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid (CID 119176060) is 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid is O=C1CN(C(=O)CCC(=O)N2CCCCC2C(=O)O)c2ccccc2N1.
What is the InChIKey of 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid?
The InChIKey is IIEDYWOEFDNKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c22-15-11-21(13-6-2-1-5-12(13)19-15)17(24)9-8-16(23)20-10-4-3-7-14(20)18(25)26/h1-2,5-6,14H,3-4,7-11H2,(H,19,22)(H,25,26).
What are the key properties of 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid?
1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).