(3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one

C14H17NO4 — CID 71661156

IUPAC(3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one
SMILESO=C(CCc1ccccc1)N1CC[C@@H](O)[C@H](O)C1=O
InChIInChI=1S/C14H17NO4/c16-11-8-9-15(14(19)13(11)18)12(17)7-6-10-4-2-1-3-5-10/h1-5,11,13,16,18H,6-9H2/t11-,13+/m1/s1
InChIKeyJYOKZZBTMGNMFG-YPMHNXCESA-N
MW263.29 g/mol
LogP0.10
Rot. Bonds3

About (3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one

(3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one (PubChem CID 71661156) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one
PubChem CID71661156
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one
SMILESO=C(CCc1ccccc1)N1CC[C@@H](O)[C@H](O)C1=O
InChIInChI=1S/C14H17NO4/c16-11-8-9-15(14(19)13(11)18)12(17)7-6-10-4-2-1-3-5-10/h1-5,11,13,16,18H,6-9H2/t11-,13+/m1/s1
InChIKeyJYOKZZBTMGNMFG-YPMHNXCESA-N
XLogP0.10
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 137643625
(3S,4R,5R)-1-benzyl-3,4,5-trihydroxypiperidin-2-one
CID 44566014
(3S*,4R*)-1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-3,4-diol
CID 72859743
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 137631574
1-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 145964489
1-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 145972506
1-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 145973961
1-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 145975517
1-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-phenylpropan-1-one
CID 145978514
(1S,6S)-3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
CID 162951829
(3r,4r)-3,4-Dihydroxy-1-methyl-6-phenyl-piperidin-2-one
CID 10036457
3-(3-Phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
CID 46937357

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one?
The IUPAC name of (3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one (CID 71661156) is (3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one.
What is the SMILES notation for (3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one?
The canonical SMILES for (3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one is O=C(CCc1ccccc1)N1CC[C@@H](O)[C@H](O)C1=O.
What is the InChIKey of (3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one?
The InChIKey is JYOKZZBTMGNMFG-YPMHNXCESA-N. The full InChI is InChI=1S/C14H17NO4/c16-11-8-9-15(14(19)13(11)18)12(17)7-6-10-4-2-1-3-5-10/h1-5,11,13,16,18H,6-9H2/t11-,13+/m1/s1.
What are the key properties of (3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one?
(3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one has a molecular weight of 263.29 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one is sourced from PubChem (CID 71661156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).