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

C22H19ClF2N4O2 — CID 121317981

IUPACN-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-n3cccn3)c2)CC(F)(F)C1
InChIInChI=1S/C22H19ClF2N4O2/c23-17-5-7-18(8-6-17)27-20(30)16-12-22(24,25)14-28(13-16)21(31)15-3-1-4-19(11-15)29-10-2-9-26-29/h1-11,16H,12-14H2,(H,27,30)
InChIKeyOXRQMERATJJKGT-UHFFFAOYSA-N
MW444.87 g/mol
LogP4.26
Rot. Bonds4

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

N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide (PubChem CID 121317981) has the molecular formula C22H19ClF2N4O2 and a molecular weight of 444.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
PubChem CID121317981
Molecular FormulaC22H19ClF2N4O2
Molecular Weight444.87 g/mol
Exact Mass444.12
IUPAC NameN-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-n3cccn3)c2)CC(F)(F)C1
InChIInChI=1S/C22H19ClF2N4O2/c23-17-5-7-18(8-6-17)27-20(30)16-12-22(24,25)14-28(13-16)21(31)15-3-1-4-19(11-15)29-10-2-9-26-29/h1-11,16H,12-14H2,(H,27,30)
InChIKeyOXRQMERATJJKGT-UHFFFAOYSA-N
XLogP4.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.87
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide (CID 121317981) is N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-n3cccn3)c2)CC(F)(F)C1.
What is the InChIKey of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide?
The InChIKey is OXRQMERATJJKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O2/c23-17-5-7-18(8-6-17)27-20(30)16-12-22(24,25)14-28(13-16)21(31)15-3-1-4-19(11-15)29-10-2-9-26-29/h1-11,16H,12-14H2,(H,27,30).
What are the key properties of N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide?
N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide has a molecular weight of 444.87 g/mol, XLogP of 4.26, 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-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 121317981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).