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

C21H22ClN3O2 — CID 45007672

IUPAC4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2N1
InChIInChI=1S/C21H22ClN3O2/c22-17-7-5-15(6-8-17)13-24-11-9-16(10-12-24)21(27)25-14-20(26)23-18-3-1-2-4-19(18)25/h1-8,16H,9-14H2,(H,23,26)
InChIKeyOMABCALFFVJZAI-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.54
Rot. Bonds3

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

4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 45007672) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID45007672
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2N1
InChIInChI=1S/C21H22ClN3O2/c22-17-7-5-15(6-8-17)13-24-11-9-16(10-12-24)21(27)25-14-20(26)23-18-3-1-2-4-19(18)25/h1-8,16H,9-14H2,(H,23,26)
InChIKeyOMABCALFFVJZAI-UHFFFAOYSA-N
XLogP3.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667506
4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 43928380
1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 55474513
4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9390348
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 55845935
4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 43925393
4-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 43933400
4-[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 38147705
4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63006373
4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 17491566
4-(2-methylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106738692

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 45007672) is 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2N1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is OMABCALFFVJZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-17-7-5-15(6-8-17)13-24-11-9-16(10-12-24)21(27)25-14-20(26)23-18-3-1-2-4-19(18)25/h1-8,16H,9-14H2,(H,23,26).
What are the key properties of 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 383.88 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 45007672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).