N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C24H25ClN4O3 — CID 55633108

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H25ClN4O3/c1-17-14-22(29(27-17)20-7-5-6-19(25)15-20)26-24(31)18-10-12-28(13-11-18)23(30)16-32-21-8-3-2-4-9-21/h2-9,14-15,18H,10-13,16H2,1H3,(H,26,31)
InChIKeyAVFDNPXEYCEFGM-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.09
Rot. Bonds6

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55633108) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55633108
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C24H25ClN4O3/c1-17-14-22(29(27-17)20-7-5-6-19(25)15-20)26-24(31)18-10-12-28(13-11-18)23(30)16-32-21-8-3-2-4-9-21/h2-9,14-15,18H,10-13,16H2,1H3,(H,26,31)
InChIKeyAVFDNPXEYCEFGM-UHFFFAOYSA-N
XLogP4.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide
CID 138992034
1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 55668435
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55480734
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623056
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631254
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 55481060
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N'-(5-chloro-2-hydroxybenzoyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
CID 55634294
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55633108) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is AVFDNPXEYCEFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-17-14-22(29(27-17)20-7-5-6-19(25)15-20)26-24(31)18-10-12-28(13-11-18)23(30)16-32-21-8-3-2-4-9-21/h2-9,14-15,18H,10-13,16H2,1H3,(H,26,31).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 452.94 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55633108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).