[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate

C17H24N2O3 — CID 2370489

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCC1CCN(C(=O)COC(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13-8-10-19(11-9-13)16(20)12-22-17(21)14-4-6-15(7-5-14)18(2)3/h4-7,13H,8-12H2,1-3H3
InChIKeyMVCDJSLIGIBJPO-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.17
Rot. Bonds4

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 2370489) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID2370489
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCC1CCN(C(=O)COC(=O)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13-8-10-19(11-9-13)16(20)12-22-17(21)14-4-6-15(7-5-14)18(2)3/h4-7,13H,8-12H2,1-3H3
InChIKeyMVCDJSLIGIBJPO-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
CID 2387369
4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 126804071
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603726
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346476
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-cyanobenzoate
CID 2380096
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753277
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195508
ethyl 4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 52890363
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377104
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999990
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2548847
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate (CID 2370489) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate is CC1CCN(C(=O)COC(=O)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is MVCDJSLIGIBJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-8-10-19(11-9-13)16(20)12-22-17(21)14-4-6-15(7-5-14)18(2)3/h4-7,13H,8-12H2,1-3H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 304.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 2370489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).