3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C18H22N2O4 — CID 124850656

IUPAC3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCC[C@H](C(=O)N1CCC(N2C(=O)COC2=O)CC1)c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-2-15(13-6-4-3-5-7-13)17(22)19-10-8-14(9-11-19)20-16(21)12-24-18(20)23/h3-7,14-15H,2,8-12H2,1H3/t15-/m0/s1
InChIKeyQWMXXWDXUAECND-HNNXBMFYSA-N
MW330.38 g/mol
LogP2.15
Rot. Bonds4

About 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 124850656) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID124850656
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCC[C@H](C(=O)N1CCC(N2C(=O)COC2=O)CC1)c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-2-15(13-6-4-3-5-7-13)17(22)19-10-8-14(9-11-19)20-16(21)12-24-18(20)23/h3-7,14-15H,2,8-12H2,1H3/t15-/m0/s1
InChIKeyQWMXXWDXUAECND-HNNXBMFYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727831
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16672276
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
1-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 129469236
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156494
1-(4-cyclopropylidenepiperidin-1-yl)-2-phenylbutan-1-one
CID 121186844
3-[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726885
1-[3-(bromomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 80667782
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 71799224
5-methyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135963554

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 124850656) is 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is CC[C@H](C(=O)N1CCC(N2C(=O)COC2=O)CC1)c1ccccc1.
What is the InChIKey of 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is QWMXXWDXUAECND-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-15(13-6-4-3-5-7-13)17(22)19-10-8-14(9-11-19)20-16(21)12-24-18(20)23/h3-7,14-15H,2,8-12H2,1H3/t15-/m0/s1.
What are the key properties of 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 330.38 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 124850656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).