[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C23H26N2O5 — CID 8790284

IUPAC[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESC[C@@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H26N2O5/c1-17-7-5-6-14-25(17)21(26)16-29-22(27)15-24-23(28)18-10-12-20(13-11-18)30-19-8-3-2-4-9-19/h2-4,8-13,17H,5-7,14-16H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyMHAPHWDDMUSKSG-QGZVFWFLSA-N
MW410.47 g/mol
LogP3.15
Rot. Bonds7

About [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 8790284) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID8790284
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESC[C@@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H26N2O5/c1-17-7-5-6-14-25(17)21(26)16-29-22(27)15-24-23(28)18-10-12-20(13-11-18)30-19-8-3-2-4-9-19/h2-4,8-13,17H,5-7,14-16H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyMHAPHWDDMUSKSG-QGZVFWFLSA-N
XLogP3.15
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate with MolForge

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Related Compounds

(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884221
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790334
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 55320566
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-benzamidoacetate
CID 9319445
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790295
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269520
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7415896
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492409
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884861
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854688

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 8790284) is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is C[C@@H]1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is MHAPHWDDMUSKSG-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-17-7-5-6-14-25(17)21(26)16-29-22(27)15-24-23(28)18-10-12-20(13-11-18)30-19-8-3-2-4-9-19/h2-4,8-13,17H,5-7,14-16H2,1H3,(H,24,28)/t17-/m1/s1.
What are the key properties of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 410.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 8790284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).