(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one

C19H20N2O2 — CID 95799880

IUPAC(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
SMILESO=C1N[C@]2(CCCN(Cc3ccccc3)C2)Oc2ccccc21
InChIInChI=1S/C19H20N2O2/c22-18-16-9-4-5-10-17(16)23-19(20-18)11-6-12-21(14-19)13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,20,22)/t19-/m1/s1
InChIKeyJMWMEVNWEDRLEI-LJQANCHMSA-N
MW308.38 g/mol
LogP2.80
Rot. Bonds2

About (2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one

(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one (PubChem CID 95799880) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one.

Molecular Properties

Compound Name(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
PubChem CID95799880
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
SMILESO=C1N[C@]2(CCCN(Cc3ccccc3)C2)Oc2ccccc21
InChIInChI=1S/C19H20N2O2/c22-18-16-9-4-5-10-17(16)23-19(20-18)11-6-12-21(14-19)13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,20,22)/t19-/m1/s1
InChIKeyJMWMEVNWEDRLEI-LJQANCHMSA-N
XLogP2.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[[4-(dimethylamino)phenyl]methyl]spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
CID 134798812
3-(1'-benzyl-4-oxospiro[3H-1,3-benzoxazine-2,3'-piperidine]-6-yl)prop-2-enoic acid
CID 123336038
1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
CID 134793232
1'-[(4-methylphenyl)methyl]spiro[3H-1,3-benzoxazine-2,3'-azetidine]-4-one
CID 134795302
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,5'-azepane]-2',4-dione
CID 95792941
1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,3'-pyrrolidine]-4-one
CID 134791894
spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 652743
1'-[(4-fluorophenyl)methyl]spiro[2,4-dihydro-1,4-benzoxazepine-3,3'-piperidine]-5-one
CID 134793510
(3S)-1'-benzylspiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92574801
1'-benzylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 130157727
1'-benzylspiro[3H-1-benzofuran-2,3'-piperidine]
CID 19045403
(2R)-1'-(1,3-dimethylpyrazole-4-carbonyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 95807966

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
The IUPAC name of (2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one (CID 95799880) is (2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one.
What is the SMILES notation for (2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
The canonical SMILES for (2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one is O=C1N[C@]2(CCCN(Cc3ccccc3)C2)Oc2ccccc21.
What is the InChIKey of (2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
The InChIKey is JMWMEVNWEDRLEI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18-16-9-4-5-10-17(16)23-19(20-18)11-6-12-21(14-19)13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,20,22)/t19-/m1/s1.
What are the key properties of (2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one?
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one has a molecular weight of 308.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one is sourced from PubChem (CID 95799880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).