1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

C25H27N3O4 — CID 24790248

IUPAC1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(O)c1CN1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1
InChIInChI=1S/C25H27N3O4/c1-31-24-6-2-5-23(29)22(24)17-28-14-11-18(12-15-28)25(30)27-19-7-9-20(10-8-19)32-21-4-3-13-26-16-21/h2-10,13,16,18,29H,11-12,14-15,17H2,1H3,(H,27,30)
InChIKeyNXMYXAJGGWJESB-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.44
Rot. Bonds7

About 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 24790248) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID24790248
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(O)c1CN1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1
InChIInChI=1S/C25H27N3O4/c1-31-24-6-2-5-23(29)22(24)17-28-14-11-18(12-15-28)25(30)27-19-7-9-20(10-8-19)32-21-4-3-13-26-16-21/h2-10,13,16,18,29H,11-12,14-15,17H2,1H3,(H,27,30)
InChIKeyNXMYXAJGGWJESB-UHFFFAOYSA-N
XLogP4.44
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 24790248) is 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is COc1cccc(O)c1CN1CCC(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1.
What is the InChIKey of 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is NXMYXAJGGWJESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-24-6-2-5-23(29)22(24)17-28-14-11-18(12-15-28)25(30)27-19-7-9-20(10-8-19)32-21-4-3-13-26-16-21/h2-10,13,16,18,29H,11-12,14-15,17H2,1H3,(H,27,30).
What are the key properties of 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-6-methoxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24790248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).