2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide

C19H25N3O4 — CID 10155377

IUPAC2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
SMILESCOc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OC1CCC1
InChIInChI=1S/C19H25N3O4/c1-25-16-6-5-14(11-17(16)26-15-3-2-4-15)19(13-20)7-9-22(10-8-19)12-18(23)21-24/h5-6,11,15,24H,2-4,7-10,12H2,1H3,(H,21,23)
InChIKeyJTSJSXZAIAWVFR-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.99
Rot. Bonds6

About 2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide

2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide (PubChem CID 10155377) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
PubChem CID10155377
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
SMILESCOc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OC1CCC1
InChIInChI=1S/C19H25N3O4/c1-25-16-6-5-14(11-17(16)26-15-3-2-4-15)19(13-20)7-9-22(10-8-19)12-18(23)21-24/h5-6,11,15,24H,2-4,7-10,12H2,1H3,(H,21,23)
InChIKeyJTSJSXZAIAWVFR-UHFFFAOYSA-N
XLogP1.99
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide (CID 10155377) is 2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide is COc1ccc(C2(C#N)CCN(CC(=O)NO)CC2)cc1OC1CCC1.
What is the InChIKey of 2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide?
The InChIKey is JTSJSXZAIAWVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-25-16-6-5-14(11-17(16)26-15-3-2-4-15)19(13-20)7-9-22(10-8-19)12-18(23)21-24/h5-6,11,15,24H,2-4,7-10,12H2,1H3,(H,21,23).
What are the key properties of 2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide?
2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide has a molecular weight of 359.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide is sourced from PubChem (CID 10155377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).