ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate

C25H27N3O6 — CID 54735050

IUPACethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(C(=O)N3CCCCC3CCc3ccccc3)cnc2n(O)c1=O
InChIInChI=1S/C25H27N3O6/c1-2-34-25(32)20-21(29)19-14-17(15-26-22(19)28(33)24(20)31)23(30)27-13-7-6-10-18(27)12-11-16-8-4-3-5-9-16/h3-5,8-9,14-15,18,29,33H,2,6-7,10-13H2,1H3
InChIKeyJPRIANMINPOORO-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.14
Rot. Bonds6

About ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate

ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate (PubChem CID 54735050) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate
PubChem CID54735050
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Nameethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(C(=O)N3CCCCC3CCc3ccccc3)cnc2n(O)c1=O
InChIInChI=1S/C25H27N3O6/c1-2-34-25(32)20-21(29)19-14-17(15-26-22(19)28(33)24(20)31)23(30)27-13-7-6-10-18(27)12-11-16-8-4-3-5-9-16/h3-5,8-9,14-15,18,29,33H,2,6-7,10-13H2,1H3
InChIKeyJPRIANMINPOORO-UHFFFAOYSA-N
XLogP3.14
TPSA121.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate (CID 54735050) is ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cc(C(=O)N3CCCCC3CCc3ccccc3)cnc2n(O)c1=O.
What is the InChIKey of ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate?
The InChIKey is JPRIANMINPOORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-2-34-25(32)20-21(29)19-14-17(15-26-22(19)28(33)24(20)31)23(30)27-13-7-6-10-18(27)12-11-16-8-4-3-5-9-16/h3-5,8-9,14-15,18,29,33H,2,6-7,10-13H2,1H3.
What are the key properties of ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate?
ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate has a molecular weight of 465.51 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dihydroxy-2-oxo-6-[2-(2-phenylethyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54735050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).