1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one

C20H20N2O4 — CID 155901543

IUPAC1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESCN1C(=O)OC2(CCN(C(=O)c3ccc(O)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H20N2O4/c1-21-17-5-3-2-4-16(17)20(26-19(21)25)10-12-22(13-11-20)18(24)14-6-8-15(23)9-7-14/h2-9,23H,10-13H2,1H3
InChIKeyGMUSMZLAOHLEFB-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.11
Rot. Bonds1

About 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one

1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one (PubChem CID 155901543) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one
PubChem CID155901543
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESCN1C(=O)OC2(CCN(C(=O)c3ccc(O)cc3)CC2)c2ccccc21
InChIInChI=1S/C20H20N2O4/c1-21-17-5-3-2-4-16(17)20(26-19(21)25)10-12-22(13-11-20)18(24)14-6-8-15(23)9-7-14/h2-9,23H,10-13H2,1H3
InChIKeyGMUSMZLAOHLEFB-UHFFFAOYSA-N
XLogP3.11
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
4-Hydroxy-N-(2-(2-(1-methyl-2-piperidinyl)ethyl)phenyl)benzamide
CID 54736
N-(1-(4-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 3135989
Acetic acid 4-[4-(2-oxo-3,4-dihydro-2H-quinolin-1-yl)-piperidine-1-carbonyl]-phenyl ester
CID 14969523
1-[1-(4-Methoxy-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 14969535
N-(3-{4-[4-(2-Oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidine-1-carbonyl]-phenoxy}-propyl)-acetamide
CID 44361406
N-Methyl-N-(3-{4-[4-(2-oxo-3,4-dihydro-2H-quinolin-1-yl)-piperidine-1-carbonyl]-phenoxy}-propyl)-acetamide
CID 44303524
1-(1-{4-[2-(1-Acetyl-piperidin-2-yl)-ethoxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 44361387
1-{1-[4-(1-Acetyl-piperidin-3-ylmethoxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 44361403
1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 44361522
1-[1-(4-Hydroxy-benzoyl)-piperidin-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 14969526
tert-butyl 4-[(2S)-1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-6-carbonyl]piperazine-1-carboxylate
CID 127024826

Frequently Asked Questions

What is the IUPAC name of 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one (CID 155901543) is 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one is CN1C(=O)OC2(CCN(C(=O)c3ccc(O)cc3)CC2)c2ccccc21.
What is the InChIKey of 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one?
The InChIKey is GMUSMZLAOHLEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-21-17-5-3-2-4-16(17)20(26-19(21)25)10-12-22(13-11-20)18(24)14-6-8-15(23)9-7-14/h2-9,23H,10-13H2,1H3.
What are the key properties of 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one?
1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one has a molecular weight of 352.39 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-hydroxybenzoyl)-1-methylspiro[3,1-benzoxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 155901543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).