1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide

C25H27F2N3O5 — CID 87928721

IUPAC1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NO)C1CN(C(=O)c2ccc(OC(F)F)cc2)CCC1C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C25H27F2N3O5/c26-25(27)35-19-8-6-17(7-9-19)23(32)30-13-11-20(21(15-30)22(31)28-34)24(33)29-12-10-18(14-29)16-4-2-1-3-5-16/h1-9,18,20-21,25,34H,10-15H2,(H,28,31)
InChIKeyHISVCZPYEWIKDU-UHFFFAOYSA-N
MW487.50 g/mol
LogP2.89
Rot. Bonds6

About 1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide

1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 87928721) has the molecular formula C25H27F2N3O5 and a molecular weight of 487.50 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID87928721
Molecular FormulaC25H27F2N3O5
Molecular Weight487.50 g/mol
Exact Mass487.19
IUPAC Name1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(NO)C1CN(C(=O)c2ccc(OC(F)F)cc2)CCC1C(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C25H27F2N3O5/c26-25(27)35-19-8-6-17(7-9-19)23(32)30-13-11-20(21(15-30)22(31)28-34)24(33)29-12-10-18(14-29)16-4-2-1-3-5-16/h1-9,18,20-21,25,34H,10-15H2,(H,28,31)
InChIKeyHISVCZPYEWIKDU-UHFFFAOYSA-N
XLogP2.89
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 52.89
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 1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 87928721) is 1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide is O=C(NO)C1CN(C(=O)c2ccc(OC(F)F)cc2)CCC1C(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is HISVCZPYEWIKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O5/c26-25(27)35-19-8-6-17(7-9-19)23(32)30-13-11-20(21(15-30)22(31)28-34)24(33)29-12-10-18(14-29)16-4-2-1-3-5-16/h1-9,18,20-21,25,34H,10-15H2,(H,28,31).
What are the key properties of 1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide?
1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 487.50 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)benzoyl]-N-hydroxy-4-(3-phenylpyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 87928721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).