1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one

C16H18N2O3 — CID 156901883

IUPAC1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(C1CCO1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C16H18N2O3/c19-14(13-5-10-21-13)18-8-6-16(7-9-18)11-3-1-2-4-12(11)17-15(16)20/h1-4,13H,5-10H2,(H,17,20)
InChIKeyBSNALOMRYMSFMK-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.29
Rot. Bonds1

About 1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one

1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 156901883) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID156901883
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C(C1CCO1)N1CCC2(CC1)C(=O)Nc1ccccc12
InChIInChI=1S/C16H18N2O3/c19-14(13-5-10-21-13)18-8-6-16(7-9-18)11-3-1-2-4-12(11)17-15(16)20/h1-4,13H,5-10H2,(H,17,20)
InChIKeyBSNALOMRYMSFMK-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 156901883) is 1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one is O=C(C1CCO1)N1CCC2(CC1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is BSNALOMRYMSFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14(13-5-10-21-13)18-8-6-16(7-9-18)11-3-1-2-4-12(11)17-15(16)20/h1-4,13H,5-10H2,(H,17,20).
What are the key properties of 1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one?
1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 286.33 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxetane-2-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 156901883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).