1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide

C24H25N3O3 — CID 24819208

IUPAC1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)C1CCCCN1Cc1cccc(O)c1
InChIInChI=1S/C24H25N3O3/c28-20-8-6-7-18(15-20)17-27-14-5-4-11-22(27)24(29)26-19-12-13-23(25-16-19)30-21-9-2-1-3-10-21/h1-3,6-10,12-13,15-16,22,28H,4-5,11,14,17H2,(H,26,29)
InChIKeyNXKWFEKIPJVGDC-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.57
Rot. Bonds6

About 1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide

1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (PubChem CID 24819208) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
PubChem CID24819208
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)C1CCCCN1Cc1cccc(O)c1
InChIInChI=1S/C24H25N3O3/c28-20-8-6-7-18(15-20)17-27-14-5-4-11-22(27)24(29)26-19-12-13-23(25-16-19)30-21-9-2-1-3-10-21/h1-3,6-10,12-13,15-16,22,28H,4-5,11,14,17H2,(H,26,29)
InChIKeyNXKWFEKIPJVGDC-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of 1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (CID 24819208) is 1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2)nc1)C1CCCCN1Cc1cccc(O)c1.
What is the InChIKey of 1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The InChIKey is NXKWFEKIPJVGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-20-8-6-7-18(15-20)17-27-14-5-4-11-22(27)24(29)26-19-12-13-23(25-16-19)30-21-9-2-1-3-10-21/h1-3,6-10,12-13,15-16,22,28H,4-5,11,14,17H2,(H,26,29).
What are the key properties of 1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxyphenyl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 24819208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).