1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide

C22H25ClN2O3 — CID 24818980

IUPAC1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H25ClN2O3/c23-19-9-6-17(7-10-19)12-14-25-16-18(8-11-21(25)26)22(27)24-13-15-28-20-4-2-1-3-5-20/h1-7,9-10,18H,8,11-16H2,(H,24,27)
InChIKeyGRURJWUHFBXIDJ-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.32
Rot. Bonds8

About 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide (PubChem CID 24818980) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
PubChem CID24818980
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H25ClN2O3/c23-19-9-6-17(7-10-19)12-14-25-16-18(8-11-21(25)26)22(27)24-13-15-28-20-4-2-1-3-5-20/h1-7,9-10,18H,8,11-16H2,(H,24,27)
InChIKeyGRURJWUHFBXIDJ-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide (CID 24818980) is 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide is O=C(NCCOc1ccccc1)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
The InChIKey is GRURJWUHFBXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c23-19-9-6-17(7-10-19)12-14-25-16-18(8-11-21(25)26)22(27)24-13-15-28-20-4-2-1-3-5-20/h1-7,9-10,18H,8,11-16H2,(H,24,27).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24818980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).