spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride

C12H15ClN2O2 — CID 13050640

IUPACspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride
SMILESCl.O=C1Nc2ccccc2C2(CCNCC2)O1
InChIInChI=1S/C12H14N2O2.ClH/c15-11-14-10-4-2-1-3-9(10)12(16-11)5-7-13-8-6-12;/h1-4,13H,5-8H2,(H,14,15);1H
InChIKeyQNADLUDHFUAJIK-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.25
Rot. Bonds

About spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride

spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride (PubChem CID 13050640) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride.

Molecular Properties

Compound Namespiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride
PubChem CID13050640
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Namespiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride
SMILESCl.O=C1Nc2ccccc2C2(CCNCC2)O1
InChIInChI=1S/C12H14N2O2.ClH/c15-11-14-10-4-2-1-3-9(10)12(16-11)5-7-13-8-6-12;/h1-4,13H,5-8H2,(H,14,15);1H
InChIKeyQNADLUDHFUAJIK-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride?
The IUPAC name of spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride (CID 13050640) is spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride.
What is the SMILES notation for spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride?
The canonical SMILES for spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride is Cl.O=C1Nc2ccccc2C2(CCNCC2)O1.
What is the InChIKey of spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride?
The InChIKey is QNADLUDHFUAJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c15-11-14-10-4-2-1-3-9(10)12(16-11)5-7-13-8-6-12;/h1-4,13H,5-8H2,(H,14,15);1H.
What are the key properties of spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride?
spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride is sourced from PubChem (CID 13050640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).