[7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid

C19H29N3O4 — CID 91158796

IUPAC[7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid
SMILESO=C(CCCCCCN(C(=O)O)c1ccc(N2CCCCC2)cc1)NO
InChIInChI=1S/C19H29N3O4/c23-18(20-26)8-4-1-2-7-15-22(19(24)25)17-11-9-16(10-12-17)21-13-5-3-6-14-21/h9-12,26H,1-8,13-15H2,(H,20,23)(H,24,25)
InChIKeyKGXHQXJGOHSAOI-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.62
Rot. Bonds9

About [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid

[7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid (PubChem CID 91158796) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid.

Molecular Properties

Compound Name[7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid
PubChem CID91158796
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name[7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid
SMILESO=C(CCCCCCN(C(=O)O)c1ccc(N2CCCCC2)cc1)NO
InChIInChI=1S/C19H29N3O4/c23-18(20-26)8-4-1-2-7-15-22(19(24)25)17-11-9-16(10-12-17)21-13-5-3-6-14-21/h9-12,26H,1-8,13-15H2,(H,20,23)(H,24,25)
InChIKeyKGXHQXJGOHSAOI-UHFFFAOYSA-N
XLogP3.62
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.62
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'}

Analyze [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid?
The IUPAC name of [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid (CID 91158796) is [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid.
What is the SMILES notation for [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid?
The canonical SMILES for [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid is O=C(CCCCCCN(C(=O)O)c1ccc(N2CCCCC2)cc1)NO.
What is the InChIKey of [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid?
The InChIKey is KGXHQXJGOHSAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c23-18(20-26)8-4-1-2-7-15-22(19(24)25)17-11-9-16(10-12-17)21-13-5-3-6-14-21/h9-12,26H,1-8,13-15H2,(H,20,23)(H,24,25).
What are the key properties of [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid?
[7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid has a molecular weight of 363.46 g/mol, XLogP of 3.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(hydroxyamino)-7-oxoheptyl]-(4-piperidin-1-ylphenyl)carbamic acid is sourced from PubChem (CID 91158796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).