[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

C22H25NO4 — CID 7277105

IUPAC[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESC[C@@H]1CCCCN1C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO4/c1-17-10-8-9-15-23(17)20(24)16-27-21(25)22(26,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,26H,8-10,15-16H2,1H3/t17-/m1/s1
InChIKeyXVGABZMSCNBYTJ-QGZVFWFLSA-N
MW367.44 g/mol
LogP2.87
Rot. Bonds5

About [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (PubChem CID 7277105) has the molecular formula C22H25NO4 and a molecular weight of 367.44 g/mol. Its IUPAC name is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
PubChem CID7277105
Molecular FormulaC22H25NO4
Molecular Weight367.44 g/mol
Exact Mass367.18
IUPAC Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
SMILESC[C@@H]1CCCCN1C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO4/c1-17-10-8-9-15-23(17)20(24)16-27-21(25)22(26,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,26H,8-10,15-16H2,1H3/t17-/m1/s1
InChIKeyXVGABZMSCNBYTJ-QGZVFWFLSA-N
XLogP2.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate
CID 2610042
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120607945
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558282
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate
CID 7505878
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790284
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009468
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate
CID 55449279
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 7832648
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate
CID 11930749
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 55317036
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 2676355
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate (CID 7277105) is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is C[C@@H]1CCCCN1C(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
The InChIKey is XVGABZMSCNBYTJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25NO4/c1-17-10-8-9-15-23(17)20(24)16-27-21(25)22(26,18-11-4-2-5-12-18)19-13-6-3-7-14-19/h2-7,11-14,17,26H,8-10,15-16H2,1H3/t17-/m1/s1.
What are the key properties of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate?
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate has a molecular weight of 367.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 7277105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).