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

C18H22BrN3O2 — CID 90410963

IUPAC6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
SMILESO=C(C1CCCC1)N1CCC2(CC1)Cc1cc(Br)cnc1NC2=O
InChIInChI=1S/C18H22BrN3O2/c19-14-9-13-10-18(17(24)21-15(13)20-11-14)5-7-22(8-6-18)16(23)12-3-1-2-4-12/h9,11-12H,1-8,10H2,(H,20,21,24)
InChIKeyCLFVWPYRZIGRSO-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.14
Rot. Bonds1

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

6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one (PubChem CID 90410963) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is 6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
PubChem CID90410963
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC Name6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
SMILESO=C(C1CCCC1)N1CCC2(CC1)Cc1cc(Br)cnc1NC2=O
InChIInChI=1S/C18H22BrN3O2/c19-14-9-13-10-18(17(24)21-15(13)20-11-14)5-7-22(8-6-18)16(23)12-3-1-2-4-12/h9,11-12H,1-8,10H2,(H,20,21,24)
InChIKeyCLFVWPYRZIGRSO-UHFFFAOYSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1'-(cyclopentanecarbonyl)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

Related Compounds

6-bromo-1'-(cyclopropanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
CID 90440440
3-[1'-(cyclopentanecarbonyl)-7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl]prop-2-enoic acid
CID 123568925
6-bromo-N-tert-butyl-2-oxospiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-1'-carboxamide;6-bromo-1'-(2,2,2-trifluoroacetyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one;methane
CID 158490877
CID 140659181
CID 140659181
6-ethenyl-1'-methylspiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
CID 163784693
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974321
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 60947880
1'-(2-hydroxyacetyl)-6-[3-oxo-3-[4-(1,2-thiazol-3-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
CID 123143147
1'-acetyl-6-[3-oxo-3-[4-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one
CID 123139748
2-(7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-4-yl)acetic acid;hydrochloride
CID 66967063
[4-(5-bromo-2-chloropyridine-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62001197

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The IUPAC name of 6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one (CID 90410963) is 6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one is O=C(C1CCCC1)N1CCC2(CC1)Cc1cc(Br)cnc1NC2=O.
What is the InChIKey of 6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
The InChIKey is CLFVWPYRZIGRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c19-14-9-13-10-18(17(24)21-15(13)20-11-14)5-7-22(8-6-18)16(23)12-3-1-2-4-12/h9,11-12H,1-8,10H2,(H,20,21,24).
What are the key properties of 6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one?
6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one has a molecular weight of 392.30 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-(cyclopentanecarbonyl)spiro[1,4-dihydro-1,8-naphthyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 90410963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).