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

C23H23ClN4O4 — CID 38115267

IUPACmethyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C23H23ClN4O4/c1-31-23(30)17-7-8-18(24)19(13-17)25-22(29)16-9-11-28(12-10-16)14-20-26-21(27-32-20)15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,25,29)
InChIKeyQZFRSUHLOKRTDG-UHFFFAOYSA-N
MW454.91 g/mol
LogP4.03
Rot. Bonds6

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

methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate (PubChem CID 38115267) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate
PubChem CID38115267
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC Namemethyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C23H23ClN4O4/c1-31-23(30)17-7-8-18(24)19(13-17)25-22(29)16-9-11-28(12-10-16)14-20-26-21(27-32-20)15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,25,29)
InChIKeyQZFRSUHLOKRTDG-UHFFFAOYSA-N
XLogP4.03
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

methyl 3-[[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]-4-methylbenzoate
CID 38153691
N-(2-methoxy-5-methylphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114976
N-(5-chloro-2-phenoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115243
N-(2,4-dichlorophenyl)-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38149119
dimethyl 5-[[1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 43927208
methyl 2-[[1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carbonyl]amino]benzoate
CID 38147291
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 38155610
N-(4-bromo-3-chlorophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115240
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 38157005
N-(2-chloro-5-nitrophenyl)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38157737
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 43927218
N-(4-chloro-2,5-dimethoxyphenyl)-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38138113

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate (CID 38115267) is methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1.
What is the InChIKey of methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate?
The InChIKey is QZFRSUHLOKRTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-31-23(30)17-7-8-18(24)19(13-17)25-22(29)16-9-11-28(12-10-16)14-20-26-21(27-32-20)15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,25,29).
What are the key properties of methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate?
methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate has a molecular weight of 454.91 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 38115267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).