[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

C20H23NO4 — CID 2999033

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)c2cc3ccccc3cc2O)C1
InChIInChI=1S/C20H23NO4/c1-13-7-14(2)11-21(10-13)19(23)12-25-20(24)17-8-15-5-3-4-6-16(15)9-18(17)22/h3-6,8-9,13-14,22H,7,10-12H2,1-2H3
InChIKeyMRZZJIANPBNXMB-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.21
Rot. Bonds3

About [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (PubChem CID 2999033) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
PubChem CID2999033
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)c2cc3ccccc3cc2O)C1
InChIInChI=1S/C20H23NO4/c1-13-7-14(2)11-21(10-13)19(23)12-25-20(24)17-8-15-5-3-4-6-16(15)9-18(17)22/h3-6,8-9,13-14,22H,7,10-12H2,1-2H3
InChIKeyMRZZJIANPBNXMB-UHFFFAOYSA-N
XLogP3.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bephenium Hydroxynaphthoate
CID 54678490
[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
3-(Morpholin-4-ylcarbonyl)-2-naphthol
CID 741858
(3,7-Dimethoxynaphthalen-2-yl)-morpholin-4-ylmethanone
CID 1115275
3-Hydroxy-2-naphthalenecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
CID 2095897

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate (CID 2999033) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is CC1CC(C)CN(C(=O)COC(=O)c2cc3ccccc3cc2O)C1.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
The InChIKey is MRZZJIANPBNXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-13-7-14(2)11-21(10-13)19(23)12-25-20(24)17-8-15-5-3-4-6-16(15)9-18(17)22/h3-6,8-9,13-14,22H,7,10-12H2,1-2H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 2999033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).