2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide

C17H19ClN4O2 — CID 3039009

IUPAC2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1cc(N2CCCCC2)nc(-c2ccc(Cl)cc2)n1)NO
InChIInChI=1S/C17H19ClN4O2/c18-13-6-4-12(5-7-13)17-19-14(11-16(23)21-24)10-15(20-17)22-8-2-1-3-9-22/h4-7,10,24H,1-3,8-9,11H2,(H,21,23)
InChIKeyXQKAYUQGQFPIFT-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.84
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide

2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide (PubChem CID 3039009) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide
PubChem CID3039009
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1cc(N2CCCCC2)nc(-c2ccc(Cl)cc2)n1)NO
InChIInChI=1S/C17H19ClN4O2/c18-13-6-4-12(5-7-13)17-19-14(11-16(23)21-24)10-15(20-17)22-8-2-1-3-9-22/h4-7,10,24H,1-3,8-9,11H2,(H,21,23)
InChIKeyXQKAYUQGQFPIFT-UHFFFAOYSA-N
XLogP2.84
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide (CID 3039009) is 2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide is O=C(Cc1cc(N2CCCCC2)nc(-c2ccc(Cl)cc2)n1)NO.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide?
The InChIKey is XQKAYUQGQFPIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-13-6-4-12(5-7-13)17-19-14(11-16(23)21-24)10-15(20-17)22-8-2-1-3-9-22/h4-7,10,24H,1-3,8-9,11H2,(H,21,23).
What are the key properties of 2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide?
2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide has a molecular weight of 346.82 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidin-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 3039009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).