1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide

C36H38N4O4 — CID 164626402

IUPAC1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1CCN(CC(O)COC(Cn2c3ccccc3c3ccccc32)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C36H38N4O4/c41-26(21-38-19-17-25(18-20-38)36(42)37-43)24-44-27(22-39-32-13-5-1-9-28(32)29-10-2-6-14-33(29)39)23-40-34-15-7-3-11-30(34)31-12-4-8-16-35(31)40/h1-16,25-27,41,43H,17-24H2,(H,37,42)
InChIKeyOCVYWWSLZGQEHY-UHFFFAOYSA-N
MW590.72 g/mol
LogP5.57
Rot. Bonds10

About 1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide

1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide (PubChem CID 164626402) has the molecular formula C36H38N4O4 and a molecular weight of 590.72 g/mol. Its IUPAC name is 1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide
PubChem CID164626402
Molecular FormulaC36H38N4O4
Molecular Weight590.72 g/mol
Exact Mass590.29
IUPAC Name1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide
SMILESO=C(NO)C1CCN(CC(O)COC(Cn2c3ccccc3c3ccccc32)Cn2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C36H38N4O4/c41-26(21-38-19-17-25(18-20-38)36(42)37-43)24-44-27(22-39-32-13-5-1-9-28(32)29-10-2-6-14-33(29)39)23-40-34-15-7-3-11-30(34)31-12-4-8-16-35(31)40/h1-16,25-27,41,43H,17-24H2,(H,37,42)
InChIKeyOCVYWWSLZGQEHY-UHFFFAOYSA-N
XLogP5.57
TPSA91.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide (CID 164626402) is 1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide is O=C(NO)C1CCN(CC(O)COC(Cn2c3ccccc3c3ccccc32)Cn2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide?
The InChIKey is OCVYWWSLZGQEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N4O4/c41-26(21-38-19-17-25(18-20-38)36(42)37-43)24-44-27(22-39-32-13-5-1-9-28(32)29-10-2-6-14-33(29)39)23-40-34-15-7-3-11-30(34)31-12-4-8-16-35(31)40/h1-16,25-27,41,43H,17-24H2,(H,37,42).
What are the key properties of 1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide?
1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide has a molecular weight of 590.72 g/mol, XLogP of 5.57, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1,3-di(carbazol-9-yl)propan-2-yloxy]-2-hydroxypropyl]-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 164626402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).