1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one

C19H23N3O4 — CID 110233864

IUPAC1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
SMILESCN1CC(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1=O
InChIInChI=1S/C19H23N3O4/c1-21-11-13(10-16(21)23)18(25)22-8-6-19(7-9-22)12-20-17(24)14-4-2-3-5-15(14)26-19/h2-5,13H,6-12H2,1H3,(H,20,24)
InChIKeyGAUHMTLNNNZDTC-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.65
Rot. Bonds1

About 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one

1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one (PubChem CID 110233864) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
PubChem CID110233864
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
SMILESCN1CC(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1=O
InChIInChI=1S/C19H23N3O4/c1-21-11-13(10-16(21)23)18(25)22-8-6-19(7-9-22)12-20-17(24)14-4-2-3-5-15(14)26-19/h2-5,13H,6-12H2,1H3,(H,20,24)
InChIKeyGAUHMTLNNNZDTC-UHFFFAOYSA-N
XLogP0.65
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one with MolForge

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Related Compounds

(3R)-1-methyl-5-oxo-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)pyrrolidine-3-carboxamide
CID 51598796
4'-[(3S,4S)-4-hydroxy-3-methylpiperidine-1-carbonyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-5-one
CID 92584675
1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 18573660
spiro[3,4-dihydro-1,4-benzoxazepine-2,1'-cyclobutane]-5-one
CID 126827517
1'-ethylsulfonylspiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
CID 92587685
(2R)-1'-acetylspiro[3,4-dihydro-1,4-benzoxazepine-2,3'-piperidine]-5-one
CID 92549161
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734267
1'-(3-fluoro-4-pyridinyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
CID 167920225
1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
CID 134788591
(2S)-1'-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]spiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-2',5-dione
CID 92591724
N-(methylcarbamoyl)-2-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl)acetamide
CID 146139547

Frequently Asked Questions

What is the IUPAC name of 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one?
The IUPAC name of 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one (CID 110233864) is 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one.
What is the SMILES notation for 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one?
The canonical SMILES for 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one is CN1CC(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)CC1=O.
What is the InChIKey of 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one?
The InChIKey is GAUHMTLNNNZDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-21-11-13(10-16(21)23)18(25)22-8-6-19(7-9-22)12-20-17(24)14-4-2-3-5-15(14)26-19/h2-5,13H,6-12H2,1H3,(H,20,24).
What are the key properties of 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one?
1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one has a molecular weight of 357.41 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one is sourced from PubChem (CID 110233864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).