4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one

C23H21Cl2N5O3 — CID 43928380

IUPAC4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)CC2)c2ccccc2N1
InChIInChI=1S/C23H21Cl2N5O3/c24-15-5-6-16(17(25)11-15)22-27-21(33-28-22)13-29-9-7-14(8-10-29)23(32)30-12-20(31)26-18-3-1-2-4-19(18)30/h1-6,11,14H,7-10,12-13H2,(H,26,31)
InChIKeyPVZQFWTWDJHZDJ-UHFFFAOYSA-N
MW486.36 g/mol
LogP4.24
Rot. Bonds4

About 4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one

4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 43928380) has the molecular formula C23H21Cl2N5O3 and a molecular weight of 486.36 g/mol. Its IUPAC name is 4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
PubChem CID43928380
Molecular FormulaC23H21Cl2N5O3
Molecular Weight486.36 g/mol
Exact Mass485.10
IUPAC Name4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)CC2)c2ccccc2N1
InChIInChI=1S/C23H21Cl2N5O3/c24-15-5-6-16(17(25)11-15)22-27-21(33-28-22)13-29-9-7-14(8-10-29)23(32)30-12-20(31)26-18-3-1-2-4-19(18)30/h1-6,11,14H,7-10,12-13H2,(H,26,31)
InChIKeyPVZQFWTWDJHZDJ-UHFFFAOYSA-N
XLogP4.24
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 38147705
4-[1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 43933400
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 43928339
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38158820
[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 43928246
N-(4-chlorophenyl)-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928217
N-[(2-chlorophenyl)methyl]-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928340
[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 43928402
N-cyclopropyl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928283
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-4-carboxamide
CID 43928451
N,N-dibenzyl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928205
N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928399

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one (CID 43928380) is 4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4Cl)no3)CC2)c2ccccc2N1.
What is the InChIKey of 4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is PVZQFWTWDJHZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O3/c24-15-5-6-16(17(25)11-15)22-27-21(33-28-22)13-29-9-7-14(8-10-29)23(32)30-12-20(31)26-18-3-1-2-4-19(18)30/h1-6,11,14H,7-10,12-13H2,(H,26,31).
What are the key properties of 4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one?
4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 486.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 43928380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).