ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate

C17H26N4O5 — CID 113135711

IUPACethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCN(C(C)=O)c2cc(C)on2)CC1
InChIInChI=1S/C17H26N4O5/c1-4-25-17(24)20-8-5-14(6-9-20)18-16(23)7-10-21(13(3)22)15-11-12(2)26-19-15/h11,14H,4-10H2,1-3H3,(H,18,23)
InChIKeyOXFLDCOINTWFDA-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.46
Rot. Bonds6

About ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate (PubChem CID 113135711) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate
PubChem CID113135711
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Nameethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCN(C(C)=O)c2cc(C)on2)CC1
InChIInChI=1S/C17H26N4O5/c1-4-25-17(24)20-8-5-14(6-9-20)18-16(23)7-10-21(13(3)22)15-11-12(2)26-19-15/h11,14H,4-10H2,1-3H3,(H,18,23)
InChIKeyOXFLDCOINTWFDA-UHFFFAOYSA-N
XLogP1.46
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate 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

ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123393
ethyl 4-[3-(N-acetyl-2-methylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123590
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 113125386
ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
CID 113126879
ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113167125
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pentanamide
CID 108561888
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113135759
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate
CID 55821563
ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
CID 113171159
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate (CID 113135711) is ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCN(C(C)=O)c2cc(C)on2)CC1.
What is the InChIKey of ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate?
The InChIKey is OXFLDCOINTWFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-4-25-17(24)20-8-5-14(6-9-20)18-16(23)7-10-21(13(3)22)15-11-12(2)26-19-15/h11,14H,4-10H2,1-3H3,(H,18,23).
What are the key properties of ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 113135711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).