[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate

C18H24N2O4 — CID 9319445

IUPAC[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H24N2O4/c1-13-7-6-8-14(2)20(13)16(21)12-24-17(22)11-19-18(23)15-9-4-3-5-10-15/h3-5,9-10,13-14H,6-8,11-12H2,1-2H3,(H,19,23)/t13-,14-/m1/s1
InChIKeySXTNITMYZHCQIM-ZIAGYGMSSA-N
MW332.40 g/mol
LogP1.75
Rot. Bonds5

About [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate

[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate (PubChem CID 9319445) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate
PubChem CID9319445
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C18H24N2O4/c1-13-7-6-8-14(2)20(13)16(21)12-24-17(22)11-19-18(23)15-9-4-3-5-10-15/h3-5,9-10,13-14H,6-8,11-12H2,1-2H3,(H,19,23)/t13-,14-/m1/s1
InChIKeySXTNITMYZHCQIM-ZIAGYGMSSA-N
XLogP1.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate with MolForge

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Related Compounds

[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854688
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880632
N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 110757185
[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843734
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790284
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate
CID 46695873
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 55320566
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 7783372
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidoacetate
CID 11915778
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate
CID 3593681

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate (CID 9319445) is [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate is C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is SXTNITMYZHCQIM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-7-6-8-14(2)20(13)16(21)12-24-17(22)11-19-18(23)15-9-4-3-5-10-15/h3-5,9-10,13-14H,6-8,11-12H2,1-2H3,(H,19,23)/t13-,14-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate?
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 332.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 9319445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).