ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate

C24H24ClFN4O4 — CID 38152757

IUPACethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1Cl
InChIInChI=1S/C24H24ClFN4O4/c1-2-33-24(32)19-8-7-18(13-20(19)25)27-23(31)16-9-11-30(12-10-16)14-21-28-22(29-34-21)15-3-5-17(26)6-4-15/h3-8,13,16H,2,9-12,14H2,1H3,(H,27,31)
InChIKeyWASWCFCDLCPLHI-UHFFFAOYSA-N
MW486.93 g/mol
LogP4.56
Rot. Bonds7

About ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate

ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate (PubChem CID 38152757) has the molecular formula C24H24ClFN4O4 and a molecular weight of 486.93 g/mol. Its IUPAC name is ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
PubChem CID38152757
Molecular FormulaC24H24ClFN4O4
Molecular Weight486.93 g/mol
Exact Mass486.15
IUPAC Nameethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1Cl
InChIInChI=1S/C24H24ClFN4O4/c1-2-33-24(32)19-8-7-18(13-20(19)25)27-23(31)16-9-11-30(12-10-16)14-21-28-22(29-34-21)15-3-5-17(26)6-4-15/h3-8,13,16H,2,9-12,14H2,1H3,(H,27,31)
InChIKeyWASWCFCDLCPLHI-UHFFFAOYSA-N
XLogP4.56
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.93
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151770
N-(3-chloro-4-methylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148617
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-ethoxyphenyl)piperidine-4-carboxamide
CID 38157053
N-(3-chlorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141601
ethyl 2-chloro-4-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 46777127
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 38144044
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 43927813
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38157294
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
N-(3,4-dimethylphenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148372
N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115240
N-(2,4-difluorophenyl)-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38151883

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate (CID 38152757) is ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3nc(-c4ccc(F)cc4)no3)CC2)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate?
The InChIKey is WASWCFCDLCPLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O4/c1-2-33-24(32)19-8-7-18(13-20(19)25)27-23(31)16-9-11-30(12-10-16)14-21-28-22(29-34-21)15-3-5-17(26)6-4-15/h3-8,13,16H,2,9-12,14H2,1H3,(H,27,31).
What are the key properties of ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate?
ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate has a molecular weight of 486.93 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 38152757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).