N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide

C18H27N3O3 — CID 59561797

IUPACN-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide
SMILESO=C(CCCCCNC(=O)c1ccc(N2CCCCC2)cc1)NO
InChIInChI=1S/C18H27N3O3/c22-17(20-24)7-3-1-4-12-19-18(23)15-8-10-16(11-9-15)21-13-5-2-6-14-21/h8-11,24H,1-7,12-14H2,(H,19,23)(H,20,22)
InChIKeyFAFYYLFCHGERCF-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.47
Rot. Bonds8

About N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide

N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide (PubChem CID 59561797) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide
PubChem CID59561797
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide
SMILESO=C(CCCCCNC(=O)c1ccc(N2CCCCC2)cc1)NO
InChIInChI=1S/C18H27N3O3/c22-17(20-24)7-3-1-4-12-19-18(23)15-8-10-16(11-9-15)21-13-5-2-6-14-21/h8-11,24H,1-7,12-14H2,(H,19,23)(H,20,22)
InChIKeyFAFYYLFCHGERCF-UHFFFAOYSA-N
XLogP2.47
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.47
H-Bond Donors ≤ 53
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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Related Compounds

N-(4,4-dimethylpentyl)-4-pyrrolidin-1-ylbenzamide
CID 110617789
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 10133172
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide
CID 142976567
N-(4-triethoxysilylbutyl)-4-[4,8,11-tris[4-(4-triethoxysilylbutylcarbamoyl)phenyl]-1,4,8,11-tetrazacyclotetradec-1-yl]benzamide
CID 101222395
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
3-[[4-(azepan-1-yl)benzoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 167938791

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide (CID 59561797) is N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide is O=C(CCCCCNC(=O)c1ccc(N2CCCCC2)cc1)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide?
The InChIKey is FAFYYLFCHGERCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-17(20-24)7-3-1-4-12-19-18(23)15-8-10-16(11-9-15)21-13-5-2-6-14-21/h8-11,24H,1-7,12-14H2,(H,19,23)(H,20,22).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide?
N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide has a molecular weight of 333.43 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 59561797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).