1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

C24H24ClN3O3 — CID 24816687

IUPAC1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C24H24ClN3O3/c25-19-3-8-23(29)18(14-19)16-28-12-9-17(10-13-28)24(30)27-20-4-6-21(7-5-20)31-22-2-1-11-26-15-22/h1-8,11,14-15,17,29H,9-10,12-13,16H2,(H,27,30)
InChIKeySMCOOOYSEWGAID-UHFFFAOYSA-N
MW437.93 g/mol
LogP5.08
Rot. Bonds6

About 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 24816687) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID24816687
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C24H24ClN3O3/c25-19-3-8-23(29)18(14-19)16-28-12-9-17(10-13-28)24(30)27-20-4-6-21(7-5-20)31-22-2-1-11-26-15-22/h1-8,11,14-15,17,29H,9-10,12-13,16H2,(H,27,30)
InChIKeySMCOOOYSEWGAID-UHFFFAOYSA-N
XLogP5.08
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.08
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-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 24816687) is 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cc(Cl)ccc2O)CC1.
What is the InChIKey of 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is SMCOOOYSEWGAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c25-19-3-8-23(29)18(14-19)16-28-12-9-17(10-13-28)24(30)27-20-4-6-21(7-5-20)31-22-2-1-11-26-15-22/h1-8,11,14-15,17,29H,9-10,12-13,16H2,(H,27,30).
What are the key properties of 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24816687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).