3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one

C21H25N5O2 — CID 97140516

IUPAC3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C21H25N5O2/c27-20(10-9-19-21(28)24-18-8-2-1-7-17(18)23-19)26-14-4-3-6-16(26)11-15-25-13-5-12-22-25/h1-2,5,7-8,12-13,16H,3-4,6,9-11,14-15H2,(H,24,28)/t16-/m1/s1
InChIKeyGPZPDJYOBXSWHK-MRXNPFEDSA-N
MW379.46 g/mol
LogP2.52
Rot. Bonds6

About 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one

3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one (PubChem CID 97140516) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one
PubChem CID97140516
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)N1CCCC[C@@H]1CCn1cccn1
InChIInChI=1S/C21H25N5O2/c27-20(10-9-19-21(28)24-18-8-2-1-7-17(18)23-19)26-14-4-3-6-16(26)11-15-25-13-5-12-22-25/h1-2,5,7-8,12-13,16H,3-4,6,9-11,14-15H2,(H,24,28)/t16-/m1/s1
InChIKeyGPZPDJYOBXSWHK-MRXNPFEDSA-N
XLogP2.52
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-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

3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 77086103
1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione
CID 99929057
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082
3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 70742954
3-[3-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 95188441
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95553144
2,4-dimethyl-5-[3-oxo-3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propyl]-1H-pyrimidin-6-one
CID 136885611
3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72861368
2-(7-fluoro-2-methyl-1H-indol-3-yl)-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 97155486

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one (CID 97140516) is 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one is O=C(CCc1nc2ccccc2[nH]c1=O)N1CCCC[C@@H]1CCn1cccn1.
What is the InChIKey of 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one?
The InChIKey is GPZPDJYOBXSWHK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-20(10-9-19-21(28)24-18-8-2-1-7-17(18)23-19)26-14-4-3-6-16(26)11-15-25-13-5-12-22-25/h1-2,5,7-8,12-13,16H,3-4,6,9-11,14-15H2,(H,24,28)/t16-/m1/s1.
What are the key properties of 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one?
3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 97140516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).