methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate

C20H26N4O4 — CID 60614224

IUPACmethyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C(C)N2CCC(c3noc(C)n3)CC2)cc1
InChIInChI=1S/C20H26N4O4/c1-13(24-10-8-16(9-11-24)18-22-14(2)28-23-18)19(25)21-12-15-4-6-17(7-5-15)20(26)27-3/h4-7,13,16H,8-12H2,1-3H3,(H,21,25)
InChIKeyVECZDZSARKGWRS-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.05
Rot. Bonds6

About methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate

methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate (PubChem CID 60614224) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate
PubChem CID60614224
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Namemethyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C(C)N2CCC(c3noc(C)n3)CC2)cc1
InChIInChI=1S/C20H26N4O4/c1-13(24-10-8-16(9-11-24)18-22-14(2)28-23-18)19(25)21-12-15-4-6-17(7-5-15)20(26)27-3/h4-7,13,16H,8-12H2,1-3H3,(H,21,25)
InChIKeyVECZDZSARKGWRS-UHFFFAOYSA-N
XLogP2.05
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]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 4-[[2-[4-(hydroxymethyl)piperidin-1-yl]propanoylamino]methyl]benzoate
CID 60510128
methyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanoylamino]methyl]benzoate
CID 55486707
methyl 4-[[[(2R)-2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]propanoyl]amino]methyl]benzoate
CID 29422757
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95308982
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
methyl 4-[[[(2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoyl]amino]methyl]benzoate
CID 11936647
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
N-[(4-methoxyphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 43089556
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 11931788
methyl 5-methyl-4-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methyl]thiophene-2-carboxylate
CID 71971727
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate (CID 60614224) is methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)C(C)N2CCC(c3noc(C)n3)CC2)cc1.
What is the InChIKey of methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate?
The InChIKey is VECZDZSARKGWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13(24-10-8-16(9-11-24)18-22-14(2)28-23-18)19(25)21-12-15-4-6-17(7-5-15)20(26)27-3/h4-7,13,16H,8-12H2,1-3H3,(H,21,25).
What are the key properties of methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate?
methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate has a molecular weight of 386.45 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propanoylamino]methyl]benzoate is sourced from PubChem (CID 60614224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).