[(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate

C21H25NO2 — CID 1418153

IUPAC[(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate
SMILESCN(C)[C@@H]1CCC[C@H]1OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-22(2)18-14-9-15-19(18)24-21(23)20(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-20H,9,14-15H2,1-2H3/t18-,19-/m1/s1
InChIKeyKWBLUDBBNZTNOA-RTBURBONSA-N
MW323.44 g/mol
LogP3.84
Rot. Bonds5

About [(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate

[(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate (PubChem CID 1418153) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is [(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate
PubChem CID1418153
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name[(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate
SMILESCN(C)[C@@H]1CCC[C@H]1OC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-22(2)18-14-9-15-19(18)24-21(23)20(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-20H,9,14-15H2,1-2H3/t18-,19-/m1/s1
InChIKeyKWBLUDBBNZTNOA-RTBURBONSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2R)-2-(dimethylamino)cyclopentyl] 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

[(1S,2S)-2-(N-methylanilino)cyclohexyl] acetate
CID 100993508
2-[2-(dimethylamino)cyclohexyl]oxybenzoic acid
CID 82037587
[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
[(6R,9R)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-yl] 2,2-diphenylacetate;hydrate;dihydrobromide
CID 70407824
[2-[(dimethylamino)methyl]-1-methylcyclohexyl] 2,2-diphenylacetate
CID 24837144
(1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride
CID 138400545
(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
CID 67518430
bis[2-(dimethylamino)cycloheptyl] (E)-but-2-enedioate
CID 70589650
tris[(2,2-diphenylacetyl)oxy]stannyl 2,2-diphenylacetate
CID 141350105
[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate
CID 67886001
[1-[5-[4-(2,2-diphenylacetyl)oxy-1-methylpiperidin-1-ium-1-yl]pentyl]-1-methylpiperidin-1-ium-4-yl] 2,2-diphenylacetate
CID 56610032
(3,3-diphenylpiperidin-4-yl) 2,2-diphenylacetate
CID 171975509

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate?
The IUPAC name of [(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate (CID 1418153) is [(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate.
What is the SMILES notation for [(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate?
The canonical SMILES for [(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate is CN(C)[C@@H]1CCC[C@H]1OC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate?
The InChIKey is KWBLUDBBNZTNOA-RTBURBONSA-N. The full InChI is InChI=1S/C21H25NO2/c1-22(2)18-14-9-15-19(18)24-21(23)20(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-20H,9,14-15H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of [(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate?
[(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate has a molecular weight of 323.44 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(dimethylamino)cyclopentyl] 2,2-diphenylacetate is sourced from PubChem (CID 1418153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).