6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one

C16H18BrN3O2 — CID 90440440

IUPAC6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
SMILESO=C(C1CC1)N1CCC2(CC1)Cc1cc(Br)cnc1NC2=O
InChIInChI=1S/C16H18BrN3O2/c17-12-7-11-8-16(15(22)19-13(11)18-9-12)3-5-20(6-4-16)14(21)10-1-2-10/h7,9-10H,1-6,8H2,(H,18,19,22)
InChIKeyODSKCDXYUCIAJY-UHFFFAOYSA-N
MW364.24 g/mol
LogP2.36
Rot. Bonds1

About 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one

6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one (PubChem CID 90440440) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
PubChem CID90440440
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
SMILESO=C(C1CC1)N1CCC2(CC1)Cc1cc(Br)cnc1NC2=O
InChIInChI=1S/C16H18BrN3O2/c17-12-7-11-8-16(15(22)19-13(11)18-9-12)3-5-20(6-4-16)14(21)10-1-2-10/h7,9-10H,1-6,8H2,(H,18,19,22)
InChIKeyODSKCDXYUCIAJY-UHFFFAOYSA-N
XLogP2.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The IUPAC name of 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one (CID 90440440) is 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one is O=C(C1CC1)N1CCC2(CC1)Cc1cc(Br)cnc1NC2=O.
What is the InChIKey of 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The InChIKey is ODSKCDXYUCIAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c17-12-7-11-8-16(15(22)19-13(11)18-9-12)3-5-20(6-4-16)14(21)10-1-2-10/h7,9-10H,1-6,8H2,(H,18,19,22).
What are the key properties of 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one has a molecular weight of 364.24 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 90440440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).