ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate

C17H22ClNO3 — CID 94143908

IUPACethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccccc2Cl)CC1
InChIInChI=1S/C17H22ClNO3/c1-2-22-17(21)14-9-11-19(12-10-14)16(20)8-7-13-5-3-4-6-15(13)18/h3-6,14H,2,7-12H2,1H3
InChIKeyLUOSCGGAPZQGBF-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.07
Rot. Bonds5

About ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate

ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate (PubChem CID 94143908) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
PubChem CID94143908
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Nameethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2ccccc2Cl)CC1
InChIInChI=1S/C17H22ClNO3/c1-2-22-17(21)14-9-11-19(12-10-14)16(20)8-7-13-5-3-4-6-15(13)18/h3-6,14H,2,7-12H2,1H3
InChIKeyLUOSCGGAPZQGBF-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

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Related Compounds

methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[3-(2-chlorophenyl)propanoylcarbamothioyl]piperidine-4-carboxylate
CID 17231108
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
methyl 1-[3-(2-chlorophenyl)propanoyl]pyrrolidine-3-carboxylate
CID 112733766
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
methyl 1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxylate
CID 43409066
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 34081968
ethyl 1-[4-(2-methylphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 110676268
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate (CID 94143908) is ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2ccccc2Cl)CC1.
What is the InChIKey of ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate?
The InChIKey is LUOSCGGAPZQGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-2-22-17(21)14-9-11-19(12-10-14)16(20)8-7-13-5-3-4-6-15(13)18/h3-6,14H,2,7-12H2,1H3.
What are the key properties of ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(2-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-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 94143908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).