N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide

C19H19ClN2O2 — CID 139295362

IUPACN-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H19ClN2O2/c20-16-6-8-17(9-7-16)21-18(23)19(24)22-12-10-15(11-13-22)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,23)
InChIKeyAIQISZUATRCXAD-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.68
Rot. Bonds2

About N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide

N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide (PubChem CID 139295362) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
PubChem CID139295362
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C19H19ClN2O2/c20-16-6-8-17(9-7-16)21-18(23)19(24)22-12-10-15(11-13-22)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,23)
InChIKeyAIQISZUATRCXAD-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide (CID 139295362) is N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide is O=C(Nc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide?
The InChIKey is AIQISZUATRCXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-6-8-17(9-7-16)21-18(23)19(24)22-12-10-15(11-13-22)14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide?
N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide has a molecular weight of 342.83 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-oxo-2-(4-phenylpiperidin-1-yl)acetamide is sourced from PubChem (CID 139295362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).