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

C26H29N3O6 — CID 54735051

IUPACethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(C(=O)N3CCC(CCCc4ccccc4)CC3)cnc2n(O)c1=O
InChIInChI=1S/C26H29N3O6/c1-2-35-26(33)21-22(30)20-15-19(16-27-23(20)29(34)25(21)32)24(31)28-13-11-18(12-14-28)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,15-16,18,30,34H,2,6,9-14H2,1H3
InChIKeyLKFMVUUODFIRPA-UHFFFAOYSA-N
MW479.53 g/mol
LogP3.39
Rot. Bonds7

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

ethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate (PubChem CID 54735051) has the molecular formula C26H29N3O6 and a molecular weight of 479.53 g/mol. Its IUPAC name is ethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate
PubChem CID54735051
Molecular FormulaC26H29N3O6
Molecular Weight479.53 g/mol
Exact Mass479.21
IUPAC Nameethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(C(=O)N3CCC(CCCc4ccccc4)CC3)cnc2n(O)c1=O
InChIInChI=1S/C26H29N3O6/c1-2-35-26(33)21-22(30)20-15-19(16-27-23(20)29(34)25(21)32)24(31)28-13-11-18(12-14-28)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,15-16,18,30,34H,2,6,9-14H2,1H3
InChIKeyLKFMVUUODFIRPA-UHFFFAOYSA-N
XLogP3.39
TPSA121.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 53.39
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-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate (CID 54735051) is ethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cc(C(=O)N3CCC(CCCc4ccccc4)CC3)cnc2n(O)c1=O.
What is the InChIKey of ethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate?
The InChIKey is LKFMVUUODFIRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O6/c1-2-35-26(33)21-22(30)20-15-19(16-27-23(20)29(34)25(21)32)24(31)28-13-11-18(12-14-28)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,15-16,18,30,34H,2,6,9-14H2,1H3.
What are the key properties of ethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate?
ethyl 1,4-dihydroxy-2-oxo-6-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate has a molecular weight of 479.53 g/mol, XLogP of 3.39, 7 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-[4-(3-phenylpropyl)piperidine-1-carbonyl]-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54735051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).