2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one

C31H33NO4 — CID 57138391

IUPAC2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)C1=COCO1)N1CCCCC1C(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NO4/c33-30(29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)27-18-10-11-19-32(27)31(34)26(28-21-35-22-36-28)20-23-12-4-1-5-13-23/h1-9,12-17,21,26-27,29-30,33H,10-11,18-20,22H2
InChIKeyCEAYMIWEQQCYOS-UHFFFAOYSA-N
MW483.61 g/mol
LogP5.27
Rot. Bonds8

About 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one

2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 57138391) has the molecular formula C31H33NO4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID57138391
Molecular FormulaC31H33NO4
Molecular Weight483.61 g/mol
Exact Mass483.24
IUPAC Name2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(C(Cc1ccccc1)C1=COCO1)N1CCCCC1C(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33NO4/c33-30(29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)27-18-10-11-19-32(27)31(34)26(28-21-35-22-36-28)20-23-12-4-1-5-13-23/h1-9,12-17,21,26-27,29-30,33H,10-11,18-20,22H2
InChIKeyCEAYMIWEQQCYOS-UHFFFAOYSA-N
XLogP5.27
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one 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

tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cycloheptyl-2-hydroxyacetamide
CID 10596394
(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 10640260
(2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide
CID 67926028
tert-butyl (2R)-2-[(1S,2S)-2-(2-fluorophenyl)-1-hydroxy-2-phenylethyl]pyrrolidine-1-carboxylate
CID 134297889
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
tert-butyl (2R)-2-[(1R,2R)-2-(3-fluorophenyl)-1-hydroxy-2-phenylethyl]pyrrolidine-1-carboxylate
CID 134282138
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
CID 61163933
(2S)-1-(3,4-diphenylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119364861
1-benzyl-3-[(2R)-2-(1-hydroxy-2,2-diphenylethyl)pyrrolidine-1-carbonyl]-5-phenylmethoxypyridazin-4-one
CID 134282094
(2R)-1-[(5R)-2,5-dibenzyl-6-oxo-6-pyrrolidin-1-ylhexanoyl]pyrrolidine-2-carboxylic acid
CID 140994321

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one (CID 57138391) is 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one is O=C(C(Cc1ccccc1)C1=COCO1)N1CCCCC1C(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is CEAYMIWEQQCYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO4/c33-30(29(24-14-6-2-7-15-24)25-16-8-3-9-17-25)27-18-10-11-19-32(27)31(34)26(28-21-35-22-36-28)20-23-12-4-1-5-13-23/h1-9,12-17,21,26-27,29-30,33H,10-11,18-20,22H2.
What are the key properties of 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one?
2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 483.61 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxol-4-yl)-1-[2-(1-hydroxy-2,2-diphenylethyl)piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 57138391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).