N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide

C22H19ClF2N4O2 — CID 121317975

IUPACN-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cn[nH]c3)c2)CC(F)(F)C1
InChIInChI=1S/C22H19ClF2N4O2/c23-18-4-6-19(7-5-18)28-20(30)16-9-22(24,25)13-29(12-16)21(31)15-3-1-2-14(8-15)17-10-26-27-11-17/h1-8,10-11,16H,9,12-13H2,(H,26,27)(H,28,30)
InChIKeyOYEKYMGUILDZLC-UHFFFAOYSA-N
MW444.87 g/mol
LogP4.47
Rot. Bonds4

About N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide

N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 121317975) 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-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
PubChem CID121317975
Molecular FormulaC22H19ClF2N4O2
Molecular Weight444.87 g/mol
Exact Mass444.12
IUPAC NameN-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cn[nH]c3)c2)CC(F)(F)C1
InChIInChI=1S/C22H19ClF2N4O2/c23-18-4-6-19(7-5-18)28-20(30)16-9-22(24,25)13-29(12-16)21(31)15-3-1-2-14(8-15)17-10-26-27-11-17/h1-8,10-11,16H,9,12-13H2,(H,26,27)(H,28,30)
InChIKeyOYEKYMGUILDZLC-UHFFFAOYSA-N
XLogP4.47
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.87
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
CID 121317981
N-(4-chlorophenyl)-1-[3-(1H-pyrazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 121317991
N-(4-chlorophenyl)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxamide
CID 121317960
N-(4-chlorophenyl)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide
CID 121318061
(3R)-7-chloro-1-methyl-3-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 52920509
HIF-2|A agonist 3
CID 170836192
N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-4-fluoro-1-[2-fluoro-5-(1-methylpyrazol-4-yl)benzoyl]piperidine-4-carboxamide
CID 177821218
N-[(3-carbamoylphenyl)methyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 32637491
(2S)-N-(4-chlorophenyl)-N-methyl-2-[[2-[2-oxo-4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanamide
CID 168289341
4-(3-((1H-pyrazol-4-yl)methyl)ureido)-N-(4-chlorophenyl)benzamide
CID 135222649
4-(3-((1H-pyrazol-4-yl)methyl)ureido)-N-(2-chlorophenyl)benzamide
CID 135223276
2-[[2-amino-2-(4-chlorophenyl)acetyl]amino]-N,N-dimethyl-5-(1H-pyrazol-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 117075666

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide (CID 121317975) is N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cn[nH]c3)c2)CC(F)(F)C1.
What is the InChIKey of N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is OYEKYMGUILDZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O2/c23-18-4-6-19(7-5-18)28-20(30)16-9-22(24,25)13-29(12-16)21(31)15-3-1-2-14(8-15)17-10-26-27-11-17/h1-8,10-11,16H,9,12-13H2,(H,26,27)(H,28,30).
What are the key properties of N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide?
N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 444.87 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5,5-difluoro-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 121317975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).