4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione

C18H25NO2 — CID 125485057

IUPAC4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione
SMILESCCCC1(C)CC(=O)N([C@H](C)Cc2ccccc2)C(=O)C1
InChIInChI=1S/C18H25NO2/c1-4-10-18(3)12-16(20)19(17(21)13-18)14(2)11-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3/t14-/m1/s1
InChIKeyDOUTVFWRKAVUBI-CQSZACIVSA-N
MW287.40 g/mol
LogP3.57
Rot. Bonds5

About 4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione

4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione (PubChem CID 125485057) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione
PubChem CID125485057
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione
SMILESCCCC1(C)CC(=O)N([C@H](C)Cc2ccccc2)C(=O)C1
InChIInChI=1S/C18H25NO2/c1-4-10-18(3)12-16(20)19(17(21)13-18)14(2)11-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3/t14-/m1/s1
InChIKeyDOUTVFWRKAVUBI-CQSZACIVSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
4-methyl-4-pentyl-1-(2-phenylethyl)piperidine-2,6-dione
CID 3028442
1-(1-phenylpropan-2-yl)-3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 13220410
2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione
CID 14368628
4-(1-phenylpropan-2-yl)piperazine-2,6-dione
CID 63788386
5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione
CID 79777283
3,4-bis(ethenyl)-1-(1-phenylpropan-2-yl)pyrrole-2,5-dione;ethane
CID 142067637
1-(1-phenylpropan-2-yl)piperazine-2,5-dione
CID 64955615
ethyl 2-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-phenylpropanoate
CID 139636721
3-amino-1-(1-phenylpropan-2-yl)pyrrolidin-2-one
CID 63012641
3-benzyl-2,2-dipropylimidazolidin-4-one
CID 122605923
1-(1-phenylpropan-2-yl)piperidine
CID 11321650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione?
The IUPAC name of 4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione (CID 125485057) is 4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione.
What is the SMILES notation for 4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione?
The canonical SMILES for 4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione is CCCC1(C)CC(=O)N([C@H](C)Cc2ccccc2)C(=O)C1.
What is the InChIKey of 4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione?
The InChIKey is DOUTVFWRKAVUBI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-10-18(3)12-16(20)19(17(21)13-18)14(2)11-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione?
4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione has a molecular weight of 287.40 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2R)-1-phenylpropan-2-yl]-4-propylpiperidine-2,6-dione is sourced from PubChem (CID 125485057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).