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

C16H19N3O4 — CID 78153116

IUPACN-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide
SMILESCN1CCC2(CC1)NC(=O)c1cc(C=CC(=O)NO)ccc1O2
InChIInChI=1S/C16H19N3O4/c1-19-8-6-16(7-9-19)17-15(21)12-10-11(2-4-13(12)23-16)3-5-14(20)18-22/h2-5,10,22H,6-9H2,1H3,(H,17,21)(H,18,20)
InChIKeyBOKDUSMPXBROMQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.75
Rot. Bonds2

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

N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide (PubChem CID 78153116) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide
PubChem CID78153116
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide
SMILESCN1CCC2(CC1)NC(=O)c1cc(C=CC(=O)NO)ccc1O2
InChIInChI=1S/C16H19N3O4/c1-19-8-6-16(7-9-19)17-15(21)12-10-11(2-4-13(12)23-16)3-5-14(20)18-22/h2-5,10,22H,6-9H2,1H3,(H,17,21)(H,18,20)
InChIKeyBOKDUSMPXBROMQ-UHFFFAOYSA-N
XLogP0.75
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide?
The IUPAC name of N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide (CID 78153116) is N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide?
The canonical SMILES for N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide is CN1CCC2(CC1)NC(=O)c1cc(C=CC(=O)NO)ccc1O2.
What is the InChIKey of N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide?
The InChIKey is BOKDUSMPXBROMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-19-8-6-16(7-9-19)17-15(21)12-10-11(2-4-13(12)23-16)3-5-14(20)18-22/h2-5,10,22H,6-9H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide?
N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide has a molecular weight of 317.35 g/mol, XLogP of 0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(1'-methyl-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl)prop-2-enamide is sourced from PubChem (CID 78153116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).