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

C25H39N3O3 — CID 142976567

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide
SMILESO=C(CCCCCCN(C(=O)C1CCCCC1)c1ccc(N2CCCCC2)cc1)NO
InChIInChI=1S/C25H39N3O3/c29-24(26-31)13-7-1-2-10-20-28(25(30)21-11-5-3-6-12-21)23-16-14-22(15-17-23)27-18-8-4-9-19-27/h14-17,21,31H,1-13,18-20H2,(H,26,29)
InChIKeyTWEFJUUHOUELHQ-UHFFFAOYSA-N
MW429.61 g/mol
LogP5.05
Rot. Bonds10

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

N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide (PubChem CID 142976567) has the molecular formula C25H39N3O3 and a molecular weight of 429.61 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide
PubChem CID142976567
Molecular FormulaC25H39N3O3
Molecular Weight429.61 g/mol
Exact Mass429.30
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide
SMILESO=C(CCCCCCN(C(=O)C1CCCCC1)c1ccc(N2CCCCC2)cc1)NO
InChIInChI=1S/C25H39N3O3/c29-24(26-31)13-7-1-2-10-20-28(25(30)21-11-5-3-6-12-21)23-16-14-22(15-17-23)27-18-8-4-9-19-27/h14-17,21,31H,1-13,18-20H2,(H,26,29)
InChIKeyTWEFJUUHOUELHQ-UHFFFAOYSA-N
XLogP5.05
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 55.05
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'}

Analyze N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide
CID 11399442
N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide
CID 59561797
4-chloro-N-methylcyclohepta-1,5-dien-1-amine;N-hydroxy-7-(N-methyl-4-piperidin-1-ylanilino)heptanamide
CID 142976511
methyl (E)-3-[3-[cyclohexanecarbonyl-[5-(4-morpholin-4-ylphenyl)pentyl]amino]phenyl]but-2-enoate
CID 155061976
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide
CID 142976559
N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide
CID 58074272
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
CID 113062418
2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 142976560
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
methyl (E)-3-[3-[cyclohexanecarbonyl-[[4-(4-pyrrolidin-1-ylphenyl)phenyl]methyl]amino]phenyl]prop-2-enoate
CID 126717084

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide (CID 142976567) is N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide is O=C(CCCCCCN(C(=O)C1CCCCC1)c1ccc(N2CCCCC2)cc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide?
The InChIKey is TWEFJUUHOUELHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3/c29-24(26-31)13-7-1-2-10-20-28(25(30)21-11-5-3-6-12-21)23-16-14-22(15-17-23)27-18-8-4-9-19-27/h14-17,21,31H,1-13,18-20H2,(H,26,29).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide has a molecular weight of 429.61 g/mol, XLogP of 5.05, 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)cyclohexanecarboxamide is sourced from PubChem (CID 142976567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).