ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate

C20H28N2O4 — CID 108566087

IUPACethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H28N2O4/c1-2-26-20(25)11-9-18(23)21-17-12-14-22(15-13-17)19(24)10-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,21,23)
InChIKeyVGKVDRYZSZVHCW-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.07
Rot. Bonds8

About ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate

ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate (PubChem CID 108566087) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
PubChem CID108566087
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nameethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
SMILESCCOC(=O)CCC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H28N2O4/c1-2-26-20(25)11-9-18(23)21-17-12-14-22(15-13-17)19(24)10-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,21,23)
InChIKeyVGKVDRYZSZVHCW-UHFFFAOYSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate with MolForge

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Related Compounds

ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
ethyl 4-[4-(3-phenylpropanoylamino)butanoylamino]piperidine-1-carboxylate
CID 39611703
ethyl 4-[4-[(2,2-diphenylacetyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 108559440
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
2-amino-3-methoxy-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide;hydrochloride
CID 120986204
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate?
The IUPAC name of ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate (CID 108566087) is ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate is CCOC(=O)CCC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate?
The InChIKey is VGKVDRYZSZVHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-2-26-20(25)11-9-18(23)21-17-12-14-22(15-13-17)19(24)10-8-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,21,23).
What are the key properties of ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate?
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate has a molecular weight of 360.45 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate is sourced from PubChem (CID 108566087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).