1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one

C17H21N3O2 — CID 8851893

IUPAC1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)Cn2c(=O)cnc3ccccc32)C1
InChIInChI=1S/C17H21N3O2/c1-12-7-13(2)10-19(9-12)17(22)11-20-15-6-4-3-5-14(15)18-8-16(20)21/h3-6,8,12-13H,7,9-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyDQQAQAKDEIPITA-STQMWFEESA-N
MW299.37 g/mol
LogP1.90
Rot. Bonds2

About 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one

1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one (PubChem CID 8851893) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
PubChem CID8851893
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
SMILESC[C@H]1C[C@H](C)CN(C(=O)Cn2c(=O)cnc3ccccc32)C1
InChIInChI=1S/C17H21N3O2/c1-12-7-13(2)10-19(9-12)17(22)11-20-15-6-4-3-5-14(15)18-8-16(20)21/h3-6,8,12-13H,7,9-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyDQQAQAKDEIPITA-STQMWFEESA-N
XLogP1.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 56816771
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55845388
1-[2-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 124740313
1-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 27799698
1-[2-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 94637166
1-[2-(2-oxoquinoxalin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462621
1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 42885478
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 2425815
1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 97275219
1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 32529717
N-butan-2-yl-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55563997

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The IUPAC name of 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one (CID 8851893) is 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one.
What is the SMILES notation for 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The canonical SMILES for 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one is C[C@H]1C[C@H](C)CN(C(=O)Cn2c(=O)cnc3ccccc32)C1.
What is the InChIKey of 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one?
The InChIKey is DQQAQAKDEIPITA-STQMWFEESA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-7-13(2)10-19(9-12)17(22)11-20-15-6-4-3-5-14(15)18-8-16(20)21/h3-6,8,12-13H,7,9-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one?
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one has a molecular weight of 299.37 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one is sourced from PubChem (CID 8851893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).