N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

C19H19ClN2O2 — CID 42651157

IUPACN-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)Nc2ccc(Cl)cc2)C1c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-22-17(23)12-11-16(18(22)13-5-3-2-4-6-13)19(24)21-15-9-7-14(20)8-10-15/h2-10,16,18H,11-12H2,1H3,(H,21,24)
InChIKeyZDDHLHRNAORAMD-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.89
Rot. Bonds3

About N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 42651157) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID42651157
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)Nc2ccc(Cl)cc2)C1c1ccccc1
InChIInChI=1S/C19H19ClN2O2/c1-22-17(23)12-11-16(18(22)13-5-3-2-4-6-13)19(24)21-15-9-7-14(20)8-10-15/h2-10,16,18H,11-12H2,1H3,(H,21,24)
InChIKeyZDDHLHRNAORAMD-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (CID 42651157) is N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is CN1C(=O)CCC(C(=O)Nc2ccc(Cl)cc2)C1c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is ZDDHLHRNAORAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-22-17(23)12-11-16(18(22)13-5-3-2-4-6-13)19(24)21-15-9-7-14(20)8-10-15/h2-10,16,18H,11-12H2,1H3,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42651157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).