N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide

C22H33N3O3 — CID 11295022

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide
SMILESO=C(CCCCCCN(C(=O)C1CC1)c1ccc(N2CCCCC2)cc1)NO
InChIInChI=1S/C22H33N3O3/c26-21(23-28)8-4-1-2-7-17-25(22(27)18-9-10-18)20-13-11-19(12-14-20)24-15-5-3-6-16-24/h11-14,18,28H,1-10,15-17H2,(H,23,26)
InChIKeyPPGGXLWPQNNVIM-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.88
Rot. Bonds10

About N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide (PubChem CID 11295022) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide
PubChem CID11295022
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide
SMILESO=C(CCCCCCN(C(=O)C1CC1)c1ccc(N2CCCCC2)cc1)NO
InChIInChI=1S/C22H33N3O3/c26-21(23-28)8-4-1-2-7-17-25(22(27)18-9-10-18)20-13-11-19(12-14-20)24-15-5-3-6-16-24/h11-14,18,28H,1-10,15-17H2,(H,23,26)
InChIKeyPPGGXLWPQNNVIM-UHFFFAOYSA-N
XLogP3.88
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide (CID 11295022) is N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide is O=C(CCCCCCN(C(=O)C1CC1)c1ccc(N2CCCCC2)cc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide?
The InChIKey is PPGGXLWPQNNVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c26-21(23-28)8-4-1-2-7-17-25(22(27)18-9-10-18)20-13-11-19(12-14-20)24-15-5-3-6-16-24/h11-14,18,28H,1-10,15-17H2,(H,23,26).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide has a molecular weight of 387.52 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 11295022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).