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

C19H27N3O4 — CID 113123393

IUPACethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCN(C(C)=O)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O4/c1-3-26-19(25)21-12-9-16(10-13-21)20-18(24)11-14-22(15(2)23)17-7-5-4-6-8-17/h4-8,16H,3,9-14H2,1-2H3,(H,20,24)
InChIKeyMZISCTYQIYVSDK-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.17
Rot. Bonds6

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

ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate (PubChem CID 113123393) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
PubChem CID113123393
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nameethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCN(C(C)=O)c2ccccc2)CC1
InChIInChI=1S/C19H27N3O4/c1-3-26-19(25)21-12-9-16(10-13-21)20-18(24)11-14-22(15(2)23)17-7-5-4-6-8-17/h4-8,16H,3,9-14H2,1-2H3,(H,20,24)
InChIKeyMZISCTYQIYVSDK-UHFFFAOYSA-N
XLogP2.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(N-acetylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113167125
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-[3-(N-acetyl-2-methylanilino)propanoylamino]piperidine-1-carboxylate
CID 113123590
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]propanoylamino]piperidine-1-carboxylate
CID 113135711
ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
CID 113171159
ethyl 4-[[2-(N-ethylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003618
ethyl 4-[[2-(N-acetyl-3,4-dimethylanilino)acetyl]amino]piperidine-1-carboxylate
CID 113168296
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[acetyl-[3-(cyclohexylamino)-3-oxopropyl]amino]benzoate
CID 113133307

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate (CID 113123393) is ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCN(C(C)=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate?
The InChIKey is MZISCTYQIYVSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-3-26-19(25)21-12-9-16(10-13-21)20-18(24)11-14-22(15(2)23)17-7-5-4-6-8-17/h4-8,16H,3,9-14H2,1-2H3,(H,20,24).
What are the key properties of ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(N-acetylanilino)propanoylamino]piperidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 2.17, 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-acetylanilino)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 113123393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).