N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

C16H24N4O3 — CID 91356315

IUPACN-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C16H24N4O3/c17-13-4-6-14(7-5-13)18-16(22)20-10-8-12(9-11-20)2-1-3-15(21)19-23/h4-7,12,23H,1-3,8-11,17H2,(H,18,22)(H,19,21)
InChIKeyLMXCZMYBKFGUTP-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.19
Rot. Bonds5

About N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (PubChem CID 91356315) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
PubChem CID91356315
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C16H24N4O3/c17-13-4-6-14(7-5-13)18-16(22)20-10-8-12(9-11-20)2-1-3-15(21)19-23/h4-7,12,23H,1-3,8-11,17H2,(H,18,22)(H,19,21)
InChIKeyLMXCZMYBKFGUTP-UHFFFAOYSA-N
XLogP2.19
TPSA107.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide 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-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11848263
4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide
CID 91320954
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 142691662
N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91222749
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide
CID 141152827
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11849011
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005
N-(4-aminophenyl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 62967404

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (CID 91356315) is N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is Nc1ccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The InChIKey is LMXCZMYBKFGUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c17-13-4-6-14(7-5-13)18-16(22)20-10-8-12(9-11-20)2-1-3-15(21)19-23/h4-7,12,23H,1-3,8-11,17H2,(H,18,22)(H,19,21).
What are the key properties of N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 91356315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).