ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate

C17H23N3O4 — CID 9451154

IUPACethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H23N3O4/c1-3-24-17(23)20-9-7-14(8-10-20)19-16(22)13-5-4-6-15(11-13)18-12(2)21/h4-6,11,14H,3,7-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyMWTIHNMKPLNBJQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.00
Rot. Bonds4

About ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 9451154) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
PubChem CID9451154
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C17H23N3O4/c1-3-24-17(23)20-9-7-14(8-10-20)19-16(22)13-5-4-6-15(11-13)18-12(2)21/h4-6,11,14H,3,7-10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyMWTIHNMKPLNBJQ-UHFFFAOYSA-N
XLogP2.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(3-acetamidobenzoyl)amino]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-benzamidopiperidine-1-carboxylate
CID 18120666
3-acetamido-N-[1-(3-methoxypropanoyl)piperidin-4-yl]benzamide
CID 108553862
ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate
CID 55821307
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003771
ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 109061890
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548929

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate (CID 9451154) is ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is MWTIHNMKPLNBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-24-17(23)20-9-7-14(8-10-20)19-16(22)13-5-4-6-15(11-13)18-12(2)21/h4-6,11,14H,3,7-10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 9451154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).