4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

C21H22FN3O2 — CID 43925393

IUPAC4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCCN(Cc3ccccc3F)C2)c2ccccc2N1
InChIInChI=1S/C21H22FN3O2/c22-17-8-2-1-6-15(17)12-24-11-5-7-16(13-24)21(27)25-14-20(26)23-18-9-3-4-10-19(18)25/h1-4,6,8-10,16H,5,7,11-14H2,(H,23,26)
InChIKeyHRPMNMXZQWHGCK-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.02
Rot. Bonds3

About 4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one

4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 43925393) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID43925393
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCCN(Cc3ccccc3F)C2)c2ccccc2N1
InChIInChI=1S/C21H22FN3O2/c22-17-8-2-1-6-15(17)12-24-11-5-7-16(13-24)21(27)25-14-20(26)23-18-9-3-4-10-19(18)25/h1-4,6,8-10,16H,5,7,11-14H2,(H,23,26)
InChIKeyHRPMNMXZQWHGCK-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926265
4-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 43933400
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 1400992
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 45007672
4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667506
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 139000918
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 43925393) is 4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)C2CCCN(Cc3ccccc3F)C2)c2ccccc2N1.
What is the InChIKey of 4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is HRPMNMXZQWHGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-17-8-2-1-6-15(17)12-24-11-5-7-16(13-24)21(27)25-14-20(26)23-18-9-3-4-10-19(18)25/h1-4,6,8-10,16H,5,7,11-14H2,(H,23,26).
What are the key properties of 4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one?
4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 367.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 43925393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).