ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate

C18H25N3O4 — CID 113167125

IUPACethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN(C(C)=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O4/c1-3-25-18(24)20-11-9-15(10-12-20)19-17(23)13-21(14(2)22)16-7-5-4-6-8-16/h4-8,15H,3,9-13H2,1-2H3,(H,19,23)
InChIKeyICPYBKRAXBPDHR-UHFFFAOYSA-N
MW347.41 g/mol
LogP1.78
Rot. Bonds5

About ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate (PubChem CID 113167125) has the molecular formula C18H25N3O4 and a molecular weight of 347.41 g/mol. Its IUPAC name is ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
PubChem CID113167125
Molecular FormulaC18H25N3O4
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Nameethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CN(C(C)=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O4/c1-3-25-18(24)20-11-9-15(10-12-20)19-17(23)13-21(14(2)22)16-7-5-4-6-8-16/h4-8,15H,3,9-13H2,1-2H3,(H,19,23)
InChIKeyICPYBKRAXBPDHR-UHFFFAOYSA-N
XLogP1.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123393
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296
ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
CID 113171159
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
ethyl 4-[3-(N-acetyl-2-methylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123590
ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
CID 113126879
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 113125386
ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003618
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165659
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate (CID 113167125) is ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CN(C(C)=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is ICPYBKRAXBPDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-3-25-18(24)20-11-9-15(10-12-20)19-17(23)13-21(14(2)22)16-7-5-4-6-8-16/h4-8,15H,3,9-13H2,1-2H3,(H,19,23).
What are the key properties of ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113167125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).