(2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate

C18H19NO4 — CID 2388572

IUPAC(2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H19NO4/c20-16-11-14-7-3-2-6-13(14)10-15(16)18(22)23-12-17(21)19-8-4-1-5-9-19/h2-3,6-7,10-11,20H,1,4-5,8-9,12H2
InChIKeyXHIICVULNCIMNT-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.71
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate (PubChem CID 2388572) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate
PubChem CID2388572
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cc2ccccc2cc1O
InChIInChI=1S/C18H19NO4/c20-16-11-14-7-3-2-6-13(14)10-15(16)18(22)23-12-17(21)19-8-4-1-5-9-19/h2-3,6-7,10-11,20H,1,4-5,8-9,12H2
InChIKeyXHIICVULNCIMNT-UHFFFAOYSA-N
XLogP2.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bephenium Hydroxynaphthoate
CID 54678490
2-Naphthalenecarboxamide, 3-hydroxy-N-[3-(4-morpholinyl)propyl]-
CID 82414
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2362720
[2-(Cyclohexylamino)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2417959
[2-(Azepan-1-yl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2469980
(2-Morpholin-4-yl-2-oxoethyl) 1-hydroxynaphthalene-2-carboxylate
CID 2558920
(3-Methoxynaphthalen-2-yl)(morpholino)methanone
CID 2712224
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 4126140
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 4882544
4-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 10671378
Methanone, (1-hydroxy-2-naphthalenyl)-4-morpholinyl-
CID 118396
3-(Morpholin-4-ylcarbonyl)-2-naphthol
CID 741858

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate (CID 2388572) is (2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate is O=C(OCC(=O)N1CCCCC1)c1cc2ccccc2cc1O.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is XHIICVULNCIMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c20-16-11-14-7-3-2-6-13(14)10-15(16)18(22)23-12-17(21)19-8-4-1-5-9-19/h2-3,6-7,10-11,20H,1,4-5,8-9,12H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2388572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).