(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione

C16H21NO3 — CID 7034523

IUPAC(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
SMILESCC(C)COc1ccc(C[C@H]2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H21NO3/c1-11(2)10-20-14-6-3-12(4-7-14)9-13-5-8-15(18)17-16(13)19/h3-4,6-7,11,13H,5,8-10H2,1-2H3,(H,17,18,19)/t13-/m1/s1
InChIKeyOERHRSCVUYUSQP-CYBMUJFWSA-N
MW275.35 g/mol
LogP2.32
Rot. Bonds5

About (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione

(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione (PubChem CID 7034523) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
PubChem CID7034523
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
SMILESCC(C)COc1ccc(C[C@H]2CCC(=O)NC2=O)cc1
InChIInChI=1S/C16H21NO3/c1-11(2)10-20-14-6-3-12(4-7-14)9-13-5-8-15(18)17-16(13)19/h3-4,6-7,11,13H,5,8-10H2,1-2H3,(H,17,18,19)/t13-/m1/s1
InChIKeyOERHRSCVUYUSQP-CYBMUJFWSA-N
XLogP2.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione (CID 7034523) is (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione is CC(C)COc1ccc(C[C@H]2CCC(=O)NC2=O)cc1.
What is the InChIKey of (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione?
The InChIKey is OERHRSCVUYUSQP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)10-20-14-6-3-12(4-7-14)9-13-5-8-15(18)17-16(13)19/h3-4,6-7,11,13H,5,8-10H2,1-2H3,(H,17,18,19)/t13-/m1/s1.
What are the key properties of (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione?
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione has a molecular weight of 275.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 7034523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).