ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate

C17H23NO3 — CID 669998

IUPACethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H23NO3/c1-2-21-17(20)15-10-12-18(13-11-15)16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyJJWKHNYMWXFXJG-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.42
Rot. Bonds5

About ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate

ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate (PubChem CID 669998) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
PubChem CID669998
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Nameethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C17H23NO3/c1-2-21-17(20)15-10-12-18(13-11-15)16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3
InChIKeyJJWKHNYMWXFXJG-UHFFFAOYSA-N
XLogP2.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 91728658
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452
ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
CID 126256730
ethyl 1-[3-[butanoyl(2-phenylethyl)amino]propanoyl]piperidine-4-carboxylate
CID 42699660
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
ethyl 4-oxo-4-[[1-(3-phenylpropanoyl)piperidin-4-yl]amino]butanoate
CID 108566087
(3-methyl-1-benzofuran-2-yl)methyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 86953805
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate (CID 669998) is ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The InChIKey is JJWKHNYMWXFXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-21-17(20)15-10-12-18(13-11-15)16(19)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3.
What are the key properties of ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate has a molecular weight of 289.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 669998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).