N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride

C15H18ClN3O4 — CID 78153115

IUPACN-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride
SMILESCl.O=C(C=Cc1ccc2c(c1)C(=O)NC1(CCNCC1)O2)NO
InChIInChI=1S/C15H17N3O4.ClH/c19-13(18-21)4-2-10-1-3-12-11(9-10)14(20)17-15(22-12)5-7-16-8-6-15;/h1-4,9,16,21H,5-8H2,(H,17,20)(H,18,19);1H
InChIKeyACBUZPJIPOWAJA-UHFFFAOYSA-N
MW339.78 g/mol
LogP0.83
Rot. Bonds2

About N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride

N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride (PubChem CID 78153115) has the molecular formula C15H18ClN3O4 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride
PubChem CID78153115
Molecular FormulaC15H18ClN3O4
Molecular Weight339.78 g/mol
Exact Mass339.10
IUPAC NameN-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride
SMILESCl.O=C(C=Cc1ccc2c(c1)C(=O)NC1(CCNCC1)O2)NO
InChIInChI=1S/C15H17N3O4.ClH/c19-13(18-21)4-2-10-1-3-12-11(9-10)14(20)17-15(22-12)5-7-16-8-6-15;/h1-4,9,16,21H,5-8H2,(H,17,20)(H,18,19);1H
InChIKeyACBUZPJIPOWAJA-UHFFFAOYSA-N
XLogP0.83
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride 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 N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride?
The IUPAC name of N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride (CID 78153115) is N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride.
What is the SMILES notation for N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride?
The canonical SMILES for N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride is Cl.O=C(C=Cc1ccc2c(c1)C(=O)NC1(CCNCC1)O2)NO.
What is the InChIKey of N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride?
The InChIKey is ACBUZPJIPOWAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4.ClH/c19-13(18-21)4-2-10-1-3-12-11(9-10)14(20)17-15(22-12)5-7-16-8-6-15;/h1-4,9,16,21H,5-8H2,(H,17,20)(H,18,19);1H.
What are the key properties of N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride?
N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride has a molecular weight of 339.78 g/mol, XLogP of 0.83, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide;hydrochloride is sourced from PubChem (CID 78153115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).