1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one

C19H24N2O3 — CID 118740850

IUPAC1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
SMILESO=C(C1CCOC1)N1CCC2(CC1)Cc1ccccc1CNC2=O
InChIInChI=1S/C19H24N2O3/c22-17(16-5-10-24-13-16)21-8-6-19(7-9-21)11-14-3-1-2-4-15(14)12-20-18(19)23/h1-4,16H,5-13H2,(H,20,23)
InChIKeyIXFVKVKXMOWKQQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.50
Rot. Bonds1

About 1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one

1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one (PubChem CID 118740850) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one.

Molecular Properties

Compound Name1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
PubChem CID118740850
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
SMILESO=C(C1CCOC1)N1CCC2(CC1)Cc1ccccc1CNC2=O
InChIInChI=1S/C19H24N2O3/c22-17(16-5-10-24-13-16)21-8-6-19(7-9-21)11-14-3-1-2-4-15(14)12-20-18(19)23/h1-4,16H,5-13H2,(H,20,23)
InChIKeyIXFVKVKXMOWKQQ-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one?
The IUPAC name of 1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one (CID 118740850) is 1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one.
What is the SMILES notation for 1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one?
The canonical SMILES for 1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one is O=C(C1CCOC1)N1CCC2(CC1)Cc1ccccc1CNC2=O.
What is the InChIKey of 1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one?
The InChIKey is IXFVKVKXMOWKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-17(16-5-10-24-13-16)21-8-6-19(7-9-21)11-14-3-1-2-4-15(14)12-20-18(19)23/h1-4,16H,5-13H2,(H,20,23).
What are the key properties of 1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one?
1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one has a molecular weight of 328.41 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolane-3-carbonyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one is sourced from PubChem (CID 118740850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).