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

C26H29N5O4S — CID 123143147

About 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

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 (PubChem CID 123143147) has the molecular formula C26H29N5O4S and a molecular weight of 507.62 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 123143147
• Molecular Formula: C26H29N5O4S
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.19
• IUPAC Name: 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
• SMILES: O=C(C=Cc1cnc2c(c1)CC1(CCN(C(=O)CO)CC1)C(=O)N2)N1CCC(=Cc2ccsn2)CC1
• InChI: InChI=1S/C26H29N5O4S/c32-17-23(34)31-10-6-26(7-11-31)15-20-13-19(16-27-24(20)28-25(26)35)1-2-22(33)30-8-3-18(4-9-30)14-21-5-12-36-29-21/h1-2,5,12-14,16,32H,3-4,6-11,15,17H2,(H,27,28,35)
• InChIKey: RFGSOCFGNGUOFQ-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 115.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is O=C(C=Cc1cnc2c(c1)CC1(CCN(C(=O)CO)CC1)C(=O)N2)N1CCC(=Cc2ccsn2)CC1.

What is the InChIKey of 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?

The InChIKey is RFGSOCFGNGUOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S/c32-17-23(34)31-10-6-26(7-11-31)15-20-13-19(16-27-24(20)28-25(26)35)1-2-22(33)30-8-3-18(4-9-30)14-21-5-12-36-29-21/h1-2,5,12-14,16,32H,3-4,6-11,15,17H2,(H,27,28,35).

What are the key properties of 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?

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 has a molecular weight of 507.62 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 123143147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).