N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C18H18ClFN2O3 — CID 170508555

IUPACN-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClFN2O3/c1-10-7-15(11-3-2-6-21-9-11)25-18(24)16(10)17(23)22-14-5-4-12(19)8-13(14)20/h4-5,7-8,11,21H,2-3,6,9H2,1H3,(H,22,23)
InChIKeyKBEMGTSLPCFPPB-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.46
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 170508555) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID170508555
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C18H18ClFN2O3/c1-10-7-15(11-3-2-6-21-9-11)25-18(24)16(10)17(23)22-14-5-4-12(19)8-13(14)20/h4-5,7-8,11,21H,2-3,6,9H2,1H3,(H,22,23)
InChIKeyKBEMGTSLPCFPPB-UHFFFAOYSA-N
XLogP3.46
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 170508555) is N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is KBEMGTSLPCFPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-10-7-15(11-3-2-6-21-9-11)25-18(24)16(10)17(23)22-14-5-4-12(19)8-13(14)20/h4-5,7-8,11,21H,2-3,6,9H2,1H3,(H,22,23).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 364.80 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 170508555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).