N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane

C21H35N3O3 — CID 91374321

IUPACN-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane
SMILESCCC.O=C(CCCCCCC(=O)N1CCN(c2ccccc2)CC1)NO
InChIInChI=1S/C18H27N3O3.C3H8/c22-17(19-24)10-6-1-2-7-11-18(23)21-14-12-20(13-15-21)16-8-4-3-5-9-16;1-3-2/h3-5,8-9,24H,1-2,6-7,10-15H2,(H,19,22);3H2,1-2H3
InChIKeyXLGKYSHESGZUBW-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.60
Rot. Bonds8

About N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane

N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane (PubChem CID 91374321) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane.

Molecular Properties

Compound NameN-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane
PubChem CID91374321
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane
SMILESCCC.O=C(CCCCCCC(=O)N1CCN(c2ccccc2)CC1)NO
InChIInChI=1S/C18H27N3O3.C3H8/c22-17(19-24)10-6-1-2-7-11-18(23)21-14-12-20(13-15-21)16-8-4-3-5-9-16;1-3-2/h3-5,8-9,24H,1-2,6-7,10-15H2,(H,19,22);3H2,1-2H3
InChIKeyXLGKYSHESGZUBW-UHFFFAOYSA-N
XLogP3.60
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane?
The IUPAC name of N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane (CID 91374321) is N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane.
What is the SMILES notation for N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane?
The canonical SMILES for N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane is CCC.O=C(CCCCCCC(=O)N1CCN(c2ccccc2)CC1)NO.
What is the InChIKey of N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane?
The InChIKey is XLGKYSHESGZUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.C3H8/c22-17(19-24)10-6-1-2-7-11-18(23)21-14-12-20(13-15-21)16-8-4-3-5-9-16;1-3-2/h3-5,8-9,24H,1-2,6-7,10-15H2,(H,19,22);3H2,1-2H3.
What are the key properties of N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane?
N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane has a molecular weight of 377.53 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-oxo-8-(4-phenylpiperazin-1-yl)octanamide;propane is sourced from PubChem (CID 91374321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).