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

C18H25NO3 — CID 46942771

IUPACethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C18H25NO3/c1-3-22-17(21)18(2)12-7-13-19(14-18)16(20)11-10-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3
InChIKeyTXUDSVQLDIVCBT-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.81
Rot. Bonds5

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

ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate (PubChem CID 46942771) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate
PubChem CID46942771
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(C)CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C18H25NO3/c1-3-22-17(21)18(2)12-7-13-19(14-18)16(20)11-10-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3
InChIKeyTXUDSVQLDIVCBT-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate (CID 46942771) is ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate is CCOC(=O)C1(C)CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate?
The InChIKey is TXUDSVQLDIVCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-22-17(21)18(2)12-7-13-19(14-18)16(20)11-10-15-8-5-4-6-9-15/h4-6,8-9H,3,7,10-14H2,1-2H3.
What are the key properties of ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate?
ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 46942771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).