1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide

C23H23N3O3 — CID 113008372

IUPAC1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C23H23N3O3/c27-21(16-29-19-8-2-1-3-9-19)26-14-11-18(12-15-26)23(28)25-20-10-4-6-17-7-5-13-24-22(17)20/h1-10,13,18H,11-12,14-16H2,(H,25,28)
InChIKeyPDBITZOVGPFHGU-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.49
Rot. Bonds5

About 1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide

1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide (PubChem CID 113008372) has the molecular formula C23H23N3O3 and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
PubChem CID113008372
Molecular FormulaC23H23N3O3
Molecular Weight389.45 g/mol
Exact Mass389.17
IUPAC Name1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C23H23N3O3/c27-21(16-29-19-8-2-1-3-9-19)26-14-11-18(12-15-26)23(28)25-20-10-4-6-17-7-5-13-24-22(17)20/h1-10,13,18H,11-12,14-16H2,(H,25,28)
InChIKeyPDBITZOVGPFHGU-UHFFFAOYSA-N
XLogP3.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
1-[2-(2-fluorophenyl)acetyl]-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008377
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
N-(2-cyanophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673965
1-(4-fluorobenzoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 26123213
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-(4-iodo-2-methylphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631254
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55630251

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide (CID 113008372) is 1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide is O=C(Nc1cccc2cccnc12)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
The InChIKey is PDBITZOVGPFHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21(16-29-19-8-2-1-3-9-19)26-14-11-18(12-15-26)23(28)25-20-10-4-6-17-7-5-13-24-22(17)20/h1-10,13,18H,11-12,14-16H2,(H,25,28).
What are the key properties of 1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide?
1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-N-quinolin-8-ylpiperidine-4-carboxamide is sourced from PubChem (CID 113008372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).