(2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide

C23H28N2O5 — CID 67578337

IUPAC(2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N2O5/c1-24(2)21(28)19(26)20(27)22(29)25-14-12-23(30,13-15-25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19-20,26-27,30H,12-15H2,1-2H3/t19-,20-/m1/s1
InChIKeyYHRRVSXKOWETCJ-WOJBJXKFSA-N
MW412.49 g/mol
LogP0.97
Rot. Bonds5

About (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide

(2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide (PubChem CID 67578337) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide
PubChem CID67578337
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name(2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H28N2O5/c1-24(2)21(28)19(26)20(27)22(29)25-14-12-23(30,13-15-25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19-20,26-27,30H,12-15H2,1-2H3/t19-,20-/m1/s1
InChIKeyYHRRVSXKOWETCJ-WOJBJXKFSA-N
XLogP0.97
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide with MolForge

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Related Compounds

1-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-2,2-diphenylethanone
CID 143894081
2,2-difluoro-1-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 164851654
2-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-1-phenylethanone
CID 23383913
(2S)-1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-phenylpent-4-en-1-one
CID 124620194
1-cyclopropyl-4-(4-phenylphenyl)piperidin-4-ol
CID 10493965
(3R)-2,3-dihydroxy-N,N-dimethyl-4-(4-naphthalen-2-ylpiperidin-1-yl)-4-oxobutanamide
CID 71188145
N-[4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-3-methyl-4-oxobutan-2-yl]benzamide
CID 68849773
[3-(4-hydroxyphenyl)phenyl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 74250458
4-[4-(4-ethoxyphenyl)phenyl]-4-hydroxypiperidine-1-carboxylic acid
CID 67084559
(2R)-2-hydroxy-1-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-methylbutan-1-one
CID 95873840
4-(4-fluorophenyl)-1-[(2S)-2-hydroxy-2-(4-phenylphenyl)ethyl]piperidin-4-ol
CID 51501336
2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 23585285

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide (CID 67578337) is (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide is CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide?
The InChIKey is YHRRVSXKOWETCJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-24(2)21(28)19(26)20(27)22(29)25-14-12-23(30,13-15-25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19-20,26-27,30H,12-15H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide?
(2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide has a molecular weight of 412.49 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-4-[4-hydroxy-4-(4-phenylphenyl)piperidin-1-yl]-N,N-dimethyl-4-oxobutanamide is sourced from PubChem (CID 67578337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).