N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide

C18H29N3O2 — CID 11313215

IUPACN-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide
SMILESO=C(CCCCCCNc1ccc(N2CCCCC2)cc1)NO
InChIInChI=1S/C18H29N3O2/c22-18(20-23)8-4-1-2-5-13-19-16-9-11-17(12-10-16)21-14-6-3-7-15-21/h9-12,19,23H,1-8,13-15H2,(H,20,22)
InChIKeyZBACWBZLMUWFSD-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.54
Rot. Bonds9

About N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide

N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide (PubChem CID 11313215) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide
PubChem CID11313215
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide
SMILESO=C(CCCCCCNc1ccc(N2CCCCC2)cc1)NO
InChIInChI=1S/C18H29N3O2/c22-18(20-23)8-4-1-2-5-13-19-16-9-11-17(12-10-16)21-14-6-3-7-15-21/h9-12,19,23H,1-8,13-15H2,(H,20,22)
InChIKeyZBACWBZLMUWFSD-UHFFFAOYSA-N
XLogP3.54
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.54
H-Bond Donors ≤ 53
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-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide?
The IUPAC name of N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide (CID 11313215) is N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide.
What is the SMILES notation for N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide?
The canonical SMILES for N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide is O=C(CCCCCCNc1ccc(N2CCCCC2)cc1)NO.
What is the InChIKey of N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide?
The InChIKey is ZBACWBZLMUWFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-18(20-23)8-4-1-2-5-13-19-16-9-11-17(12-10-16)21-14-6-3-7-15-21/h9-12,19,23H,1-8,13-15H2,(H,20,22).
What are the key properties of N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide?
N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide has a molecular weight of 319.45 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(4-piperidin-1-ylanilino)heptanamide is sourced from PubChem (CID 11313215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).