ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate

C17H22ClNO3 — CID 35763528

IUPACethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO3/c1-2-22-17(21)14-9-11-19(12-10-14)16(20)8-5-13-3-6-15(18)7-4-13/h3-4,6-7,14H,2,5,8-12H2,1H3
InChIKeyNXUBKDJVHBEITC-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.07
Rot. Bonds5

About ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate

ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate (PubChem CID 35763528) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
PubChem CID35763528
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Nameethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO3/c1-2-22-17(21)14-9-11-19(12-10-14)16(20)8-5-13-3-6-15(18)7-4-13/h3-4,6-7,14H,2,5,8-12H2,1H3
InChIKeyNXUBKDJVHBEITC-UHFFFAOYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
ethyl 1-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetyl]piperidine-4-carboxylate
CID 2967331
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452
3-(4-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119644784
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
ethyl 1-[N-[3-(4-chlorophenyl)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157599
ethyl 1-[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]piperidine-4-carboxylate
CID 44995824
1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate (CID 35763528) is ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate?
The InChIKey is NXUBKDJVHBEITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-2-22-17(21)14-9-11-19(12-10-14)16(20)8-5-13-3-6-15(18)7-4-13/h3-4,6-7,14H,2,5,8-12H2,1H3.
What are the key properties of ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate has a molecular weight of 323.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 35763528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).