ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate

C19H26FN3O4 — CID 113126879

IUPACethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCN(C(C)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O4/c1-3-27-19(26)22-11-8-16(9-12-22)21-18(25)10-13-23(14(2)24)17-6-4-15(20)5-7-17/h4-7,16H,3,8-13H2,1-2H3,(H,21,25)
InChIKeyKNWKAKSBSUDYEI-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.31
Rot. Bonds6

About ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate (PubChem CID 113126879) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
PubChem CID113126879
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Nameethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCN(C(C)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O4/c1-3-27-19(26)22-11-8-16(9-12-22)21-18(25)10-13-23(14(2)24)17-6-4-15(20)5-7-17/h4-7,16H,3,8-13H2,1-2H3,(H,21,25)
InChIKeyKNWKAKSBSUDYEI-UHFFFAOYSA-N
XLogP2.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 113125386
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-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113167125
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296
ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate
CID 113135711
ethyl 4-[acetyl-[3-(cyclohexylamino)-3-oxopropyl]amino]benzoate
CID 113133307
ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028878
ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate
CID 113125387
3-(4-acetamido-N-acetylanilino)-N-cyclopropylpropanamide
CID 113131068
ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
CID 113171159

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate (CID 113126879) is ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCN(C(C)=O)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate?
The InChIKey is KNWKAKSBSUDYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-3-27-19(26)22-11-8-16(9-12-22)21-18(25)10-13-23(14(2)24)17-6-4-15(20)5-7-17/h4-7,16H,3,8-13H2,1-2H3,(H,21,25).
What are the key properties of ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate has a molecular weight of 379.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(N-acetyl-4-fluoroanilino)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 113126879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).