2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione

C16H17NO3 — CID 936438

IUPAC2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione
SMILESCOC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H17NO3/c1-20-16-13(17-9-5-2-6-10-17)14(18)11-7-3-4-8-12(11)15(16)19/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyWESRTHUHTPUNDI-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.41
Rot. Bonds2

About 2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione

2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione (PubChem CID 936438) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione
PubChem CID936438
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione
SMILESCOC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H17NO3/c1-20-16-13(17-9-5-2-6-10-17)14(18)11-7-3-4-8-12(11)15(16)19/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyWESRTHUHTPUNDI-UHFFFAOYSA-N
XLogP2.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

1,4-Naphthalenedione, 2-methoxy-3-(4-morpholinyl)-
CID 781111
2-Ethoxy-3-(heptylamino)naphthalene-1,4-dione
CID 220853
2-[4-[3-(Dimethylamino)propyl]piperazin-1-yl]-3-methylnaphthalene-1,4-dione
CID 10736018
[1,4]Naphthoquinone, 2-amino-3-methoxy-
CID 3301281
N-(3-ethoxy-1,4-dioxonaphthalen-2-yl)acetamide
CID 275105
2-(1-Cyclohexyl-2-oxo-propyl)-3-(1-piperidyl)naphthalene-1,4-dione
CID 86573229
2-Methyl-3-(piperidin-1-yl)naphthalene-1,4-dione
CID 15919651
2-(Difluoromethoxy)-3-(ethylamino)naphthalene-1,4-dione
CID 155104282
2-Azido-3-methoxynaphthalene-1,4-dione
CID 4359173
2-(Dimethylamino)-3-methoxynaphthalene-1,4-dione
CID 275106
2-Methyl-3-(2,6-dimethylmorpholino)naphthalene-1,4-dione
CID 154702004
2-((Dimethylamino)methyl)-3-methoxynaphthalene-1,4-dione
CID 156630832

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione?
The IUPAC name of 2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione (CID 936438) is 2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione.
What is the SMILES notation for 2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione?
The canonical SMILES for 2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione is COC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione?
The InChIKey is WESRTHUHTPUNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-16-13(17-9-5-2-6-10-17)14(18)11-7-3-4-8-12(11)15(16)19/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione?
2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione has a molecular weight of 271.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-piperidin-1-ylnaphthalene-1,4-dione is sourced from PubChem (CID 936438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).