N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide

C23H19ClF2N4O2 — CID 121317983

IUPACN-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cncnc3)c2)CC(F)(F)C1
InChIInChI=1S/C23H19ClF2N4O2/c24-19-4-6-20(7-5-19)29-21(31)17-9-23(25,26)13-30(12-17)22(32)16-3-1-2-15(8-16)18-10-27-14-28-11-18/h1-8,10-11,14,17H,9,12-13H2,(H,29,31)
InChIKeyYMPFIUNQJGZTPI-UHFFFAOYSA-N
MW456.88 g/mol
LogP4.53
Rot. Bonds4

About N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide

N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide (PubChem CID 121317983) has the molecular formula C23H19ClF2N4O2 and a molecular weight of 456.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide
PubChem CID121317983
Molecular FormulaC23H19ClF2N4O2
Molecular Weight456.88 g/mol
Exact Mass456.12
IUPAC NameN-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cncnc3)c2)CC(F)(F)C1
InChIInChI=1S/C23H19ClF2N4O2/c24-19-4-6-20(7-5-19)29-21(31)17-9-23(25,26)13-30(12-17)22(32)16-3-1-2-15(8-16)18-10-27-14-28-11-18/h1-8,10-11,14,17H,9,12-13H2,(H,29,31)
InChIKeyYMPFIUNQJGZTPI-UHFFFAOYSA-N
XLogP4.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.88
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-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-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide (CID 121317983) is N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cncnc3)c2)CC(F)(F)C1.
What is the InChIKey of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide?
The InChIKey is YMPFIUNQJGZTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4O2/c24-19-4-6-20(7-5-19)29-21(31)17-9-23(25,26)13-30(12-17)22(32)16-3-1-2-15(8-16)18-10-27-14-28-11-18/h1-8,10-11,14,17H,9,12-13H2,(H,29,31).
What are the key properties of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide?
N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide has a molecular weight of 456.88 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 121317983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).