3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione

C13H21NO3 — CID 82838057

IUPAC3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione
SMILESCC(C)CC1C(=O)NC(=O)CC1C1CCCO1
InChIInChI=1S/C13H21NO3/c1-8(2)6-10-9(11-4-3-5-17-11)7-12(15)14-13(10)16/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyBNPDBXNWNMQZIF-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.49
Rot. Bonds3

About 3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione

3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione (PubChem CID 82838057) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione
PubChem CID82838057
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione
SMILESCC(C)CC1C(=O)NC(=O)CC1C1CCCO1
InChIInChI=1S/C13H21NO3/c1-8(2)6-10-9(11-4-3-5-17-11)7-12(15)14-13(10)16/h8-11H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyBNPDBXNWNMQZIF-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.49
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

4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione
CID 79318356
5-ethyl-4-(oxolan-2-yl)pyrrolidin-2-one
CID 82837252
4-(3,5-dimethylphenyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 79317570
3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one
CID 131123608
4-cyclohexyl-3-ethylpiperidine-2,6-dione
CID 79321349
3-(2-methylpropyl)-4-(4-methylsulfanylphenyl)piperidine-2,6-dione
CID 79317958
4-(4,5-dibromothiophen-2-yl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 102845436
4-(3-chloro-5-fluorophenyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 114455061
3-benzyl-4-(oxan-4-yl)piperidine-2,6-dione
CID 79309818
4,4-diethyl-5-(2-methylpropyl)pyrrolidin-2-one
CID 66108525
4-(6-methoxy-3-pyridinyl)-3-(2-methylpropyl)piperidine-2,6-dione
CID 114938878
2-methyl-5-(2-methylpropyl)-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83243387

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione (CID 82838057) is 3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione is CC(C)CC1C(=O)NC(=O)CC1C1CCCO1.
What is the InChIKey of 3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione?
The InChIKey is BNPDBXNWNMQZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8(2)6-10-9(11-4-3-5-17-11)7-12(15)14-13(10)16/h8-11H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione?
3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione has a molecular weight of 239.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 82838057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).