N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C18H22N4O3 — CID 32609867

IUPACN-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCn1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cn1
InChIInChI=1S/C18H22N4O3/c1-21-12-15(11-19-21)20-18(24)14-7-9-22(10-8-14)17(23)13-25-16-5-3-2-4-6-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,24)
InChIKeyZALSMBAWTJVYMB-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.68
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 32609867) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID32609867
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCn1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cn1
InChIInChI=1S/C18H22N4O3/c1-21-12-15(11-19-21)20-18(24)14-7-9-22(10-8-14)17(23)13-25-16-5-3-2-4-6-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,24)
InChIKeyZALSMBAWTJVYMB-UHFFFAOYSA-N
XLogP1.68
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55632262
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 32609867) is N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is Cn1cc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is ZALSMBAWTJVYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-12-15(11-19-21)20-18(24)14-7-9-22(10-8-14)17(23)13-25-16-5-3-2-4-6-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,20,24).
What are the key properties of N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 32609867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).