6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one

C22H22N4O2S — CID 123785219

About 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one

6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one (PubChem CID 123785219) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one.

Molecular Properties

• Compound Name: 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one
• PubChem CID: 123785219
• Molecular Formula: C22H22N4O2S
• Molecular Weight: 406.51 g/mol
• Exact Mass: 406.15
• IUPAC Name: 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one
• SMILES: O=C(C=Cc1cnc2c(c1)CC1(CC1)C(=O)N2)N1CCC(=Cc2nccs2)CC1
• InChI: InChI=1S/C22H22N4O2S/c27-19(26-8-3-15(4-9-26)12-18-23-7-10-29-18)2-1-16-11-17-13-22(5-6-22)21(28)25-20(17)24-14-16/h1-2,7,10-12,14H,3-6,8-9,13H2,(H,24,25,28)
• InChIKey: PSLVETATVMZVCN-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.51
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one?

The IUPAC name of 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one (CID 123785219) is 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one.

What is the SMILES notation for 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one?

The canonical SMILES for 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one is O=C(C=Cc1cnc2c(c1)CC1(CC1)C(=O)N2)N1CCC(=Cc2nccs2)CC1.

What is the InChIKey of 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one?

The InChIKey is PSLVETATVMZVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c27-19(26-8-3-15(4-9-26)12-18-23-7-10-29-18)2-1-16-11-17-13-22(5-6-22)21(28)25-20(17)24-14-16/h1-2,7,10-12,14H,3-6,8-9,13H2,(H,24,25,28).

What are the key properties of 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one?

6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one has a molecular weight of 406.51 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-oxo-3-[4-(1,3-thiazol-2-ylmethylidene)piperidin-1-yl]prop-1-enyl]spiro[1,4-dihydro-1,8-naphthyridine-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 123785219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).