3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C18H22N2O4 — CID 121156580

IUPAC3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cccc(CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c1
InChIInChI=1S/C18H22N2O4/c1-13-3-2-4-14(11-13)5-6-16(21)19-9-7-15(8-10-19)20-17(22)12-24-18(20)23/h2-4,11,15H,5-10,12H2,1H3
InChIKeyMWIOOZBSKWWNMM-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.90
Rot. Bonds4

About 3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156580) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156580
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cccc(CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c1
InChIInChI=1S/C18H22N2O4/c1-13-3-2-4-14(11-13)5-6-16(21)19-9-7-15(8-10-19)20-17(22)12-24-18(20)23/h2-4,11,15H,5-10,12H2,1H3
InChIKeyMWIOOZBSKWWNMM-UHFFFAOYSA-N
XLogP1.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3R)-1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727672
3-[1-[3-(2-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 91815041
3-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156772
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
3-[(3R)-1-[3-(4-methoxy-3-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727649
1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 51329229
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119644243
3-[1-[3-(3-methylphenyl)propanoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155129
N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
CID 110822627
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110708807
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110817715

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156580) is 3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is Cc1cccc(CCC(=O)N2CCC(N3C(=O)COC3=O)CC2)c1.
What is the InChIKey of 3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is MWIOOZBSKWWNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-3-2-4-14(11-13)5-6-16(21)19-9-7-15(8-10-19)20-17(22)12-24-18(20)23/h2-4,11,15H,5-10,12H2,1H3.
What are the key properties of 3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 330.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).