(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione

C13H15NO3 — CID 92849982

IUPAC(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
SMILESCOc1ccc(C[C@@H]2CCC(=O)NC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-17-11-5-2-9(3-6-11)8-10-4-7-12(15)14-13(10)16/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15,16)/t10-/m0/s1
InChIKeyHXTAXTMLUYDCOG-JTQLQIEISA-N
MW233.27 g/mol
LogP1.29
Rot. Bonds3

About (3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione

(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione (PubChem CID 92849982) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
PubChem CID92849982
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
SMILESCOc1ccc(C[C@@H]2CCC(=O)NC2=O)cc1
InChIInChI=1S/C13H15NO3/c1-17-11-5-2-9(3-6-11)8-10-4-7-12(15)14-13(10)16/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15,16)/t10-/m0/s1
InChIKeyHXTAXTMLUYDCOG-JTQLQIEISA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
CID 7034523
3-[[3-methoxy-5-(trifluoromethyl)phenyl]methyl]piperidine-2,6-dione
CID 158815109
CID 174088430
CID 174088430
3-[[4-(1-methylpiperidin-4-yl)phenyl]methyl]piperidine-2,6-dione
CID 166117430
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione
CID 98277402
4-[(4-methoxyphenyl)methyl]oxan-3-one
CID 66825112
1-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 101467069
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
2-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]acetic acid
CID 165078631
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide
CID 166211681

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The IUPAC name of (3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione (CID 92849982) is (3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione is COc1ccc(C[C@@H]2CCC(=O)NC2=O)cc1.
What is the InChIKey of (3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
The InChIKey is HXTAXTMLUYDCOG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-11-5-2-9(3-6-11)8-10-4-7-12(15)14-13(10)16/h2-3,5-6,10H,4,7-8H2,1H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of (3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione?
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione has a molecular weight of 233.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 92849982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).