1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C24H25N3O3 — CID 24791496

IUPAC1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN(Cc2ccccc2O)C1
InChIInChI=1S/C24H25N3O3/c28-22-11-3-1-7-18(22)16-27-14-6-8-19(17-27)24(29)26-21-10-2-4-12-23(21)30-20-9-5-13-25-15-20/h1-5,7,9-13,15,19,28H,6,8,14,16-17H2,(H,26,29)
InChIKeyRMOBAGYFOMECMG-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.43
Rot. Bonds6

About 1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 24791496) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID24791496
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN(Cc2ccccc2O)C1
InChIInChI=1S/C24H25N3O3/c28-22-11-3-1-7-18(22)16-27-14-6-8-19(17-27)24(29)26-21-10-2-4-12-23(21)30-20-9-5-13-25-15-20/h1-5,7,9-13,15,19,28H,6,8,14,16-17H2,(H,26,29)
InChIKeyRMOBAGYFOMECMG-UHFFFAOYSA-N
XLogP4.43
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 24791496) is 1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)C1CCCN(Cc2ccccc2O)C1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is RMOBAGYFOMECMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-22-11-3-1-7-18(22)16-27-14-6-8-19(17-27)24(29)26-21-10-2-4-12-23(21)30-20-9-5-13-25-15-20/h1-5,7,9-13,15,19,28H,6,8,14,16-17H2,(H,26,29).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24791496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).