N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide

C15H18N2O4 — CID 46887933

IUPACN-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCC(=O)N(C[C@H](O)c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-10(18)16-12-7-8-14(20)17(15(12)21)9-13(19)11-5-3-2-4-6-11/h2-6,12-13,19H,7-9H2,1H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyYQYLRDKSRBISRH-STQMWFEESA-N
MW290.32 g/mol
LogP0.37
Rot. Bonds4

About N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide

N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide (PubChem CID 46887933) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide
PubChem CID46887933
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCC(=O)N(C[C@H](O)c2ccccc2)C1=O
InChIInChI=1S/C15H18N2O4/c1-10(18)16-12-7-8-14(20)17(15(12)21)9-13(19)11-5-3-2-4-6-11/h2-6,12-13,19H,7-9H2,1H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyYQYLRDKSRBISRH-STQMWFEESA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dioxo-1-phenacylpiperidin-3-yl)propanamide
CID 144975524
4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione
CID 61328165
benzyl 2-[(3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,6-dioxopiperidin-1-yl]acetate
CID 177498904
(5S)-5-tert-butyl-1-[(2S)-2-hydroxy-2-phenylethyl]azepan-2-one
CID 101253981
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
tert-butyl N-[2-[(2,6-dioxo-1-phenacylpiperidin-3-yl)amino]-2-oxoethyl]carbamate
CID 129143522
N-(2,6-dioxo-1-phenacylpiperidin-3-yl)-2-[di(tetradecyl)amino]acetamide
CID 140786015
N-(1-methyl-2,6-dioxopiperidin-3-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031624
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
1-(2-hydroxy-2-phenylethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721423
2-[2-aminoethyl(methyl)amino]-N-(2,6-dioxo-1-phenacylpiperidin-3-yl)acetamide
CID 144975528
1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 110026793

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide (CID 46887933) is N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide is CC(=O)N[C@H]1CCC(=O)N(C[C@H](O)c2ccccc2)C1=O.
What is the InChIKey of N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide?
The InChIKey is YQYLRDKSRBISRH-STQMWFEESA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)16-12-7-8-14(20)17(15(12)21)9-13(19)11-5-3-2-4-6-11/h2-6,12-13,19H,7-9H2,1H3,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide?
N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2R)-2-hydroxy-2-phenylethyl]-2,6-dioxopiperidin-3-yl]acetamide is sourced from PubChem (CID 46887933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).