ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate

C17H24N2O3 — CID 151371573

IUPACethyl 1-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(N(C(=O)CC)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-16(20)19(15-8-6-5-7-9-15)18-12-10-14(11-13-18)17(21)22-4-2/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyOQOCKIYJABQHHV-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.62
Rot. Bonds5

About ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate

ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate (PubChem CID 151371573) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(N-propanoylanilino)piperidine-4-carboxylate
PubChem CID151371573
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 1-(N-propanoylanilino)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(N(C(=O)CC)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-16(20)19(15-8-6-5-7-9-15)18-12-10-14(11-13-18)17(21)22-4-2/h5-9,14H,3-4,10-13H2,1-2H3
InChIKeyOQOCKIYJABQHHV-UHFFFAOYSA-N
XLogP2.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
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ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
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ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate
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ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
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ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
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ethyl 1-(1-benzhydrylazetidine-3-carbonyl)piperidine-4-carboxylate
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ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate
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ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate (CID 151371573) is ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate is CCOC(=O)C1CCN(N(C(=O)CC)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate?
The InChIKey is OQOCKIYJABQHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-16(20)19(15-8-6-5-7-9-15)18-12-10-14(11-13-18)17(21)22-4-2/h5-9,14H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate?
ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(N-propanoylanilino)piperidine-4-carboxylate is sourced from PubChem (CID 151371573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).