1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

C26H27N3O3 — CID 92620724

IUPAC1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C26H27N3O3/c27-25(31)26(18-20-6-8-21(9-7-20)22-10-14-28-15-11-22)12-16-29(17-13-26)24(30)19-32-23-4-2-1-3-5-23/h1-11,14-15H,12-13,16-19H2,(H2,27,31)
InChIKeyANXLJOLEYBXFOC-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.46
Rot. Bonds7

About 1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 92620724) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID92620724
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C26H27N3O3/c27-25(31)26(18-20-6-8-21(9-7-20)22-10-14-28-15-11-22)12-16-29(17-13-26)24(30)19-32-23-4-2-1-3-5-23/h1-11,14-15H,12-13,16-19H2,(H2,27,31)
InChIKeyANXLJOLEYBXFOC-UHFFFAOYSA-N
XLogP3.46
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenoxyacetyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 129360841
1-(2-phenoxyacetyl)-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231275
(3R)-1-butanoyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586217
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609749
N-methyl-1-(2-phenoxyacetyl)-4-[(3-phenylphenyl)methyl]piperidine-4-carboxamide
CID 129360854
(3R)-N-methyl-1-(2-phenoxyacetyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609411
1-(6-azaspiro[2.5]octan-6-yl)-2-phenoxyethanone
CID 97399323
1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083470
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-(pyridine-2-carbonyl)-4-[(4-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805695
1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982891
(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92575331

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 92620724) is 1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ANXLJOLEYBXFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c27-25(31)26(18-20-6-8-21(9-7-20)22-10-14-28-15-11-22)12-16-29(17-13-26)24(30)19-32-23-4-2-1-3-5-23/h1-11,14-15H,12-13,16-19H2,(H2,27,31).
What are the key properties of 1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 92620724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).