1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione

C20H26N2O3 — CID 164629672

IUPAC1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(C2CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC2)c1
InChIInChI=1S/C20H26N2O3/c1-13-4-5-14(2)17(12-13)16-8-10-21(11-9-16)20(25)15(3)22-18(23)6-7-19(22)24/h4-5,12,15-16H,6-11H2,1-3H3/t15-/m0/s1
InChIKeyLSCFHQKECADNHC-HNNXBMFYSA-N
MW342.44 g/mol
LogP2.55
Rot. Bonds3

About 1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione

1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione (PubChem CID 164629672) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione
PubChem CID164629672
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(C2CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC2)c1
InChIInChI=1S/C20H26N2O3/c1-13-4-5-14(2)17(12-13)16-8-10-21(11-9-16)20(25)15(3)22-18(23)6-7-19(22)24/h4-5,12,15-16H,6-11H2,1-3H3/t15-/m0/s1
InChIKeyLSCFHQKECADNHC-HNNXBMFYSA-N
XLogP2.55
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 14810979
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CID 3842538
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CID 2877316
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CID 2972321
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CID 599871
CID 599871
CID 2851395
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CID 2912759
CID 2912759
CID 3429051
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CID 9901722
CID 9901722
CID 3059300
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CID 3130162
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CID 44374477
CID 44374477

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione (CID 164629672) is 1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione is Cc1ccc(C)c(C2CCN(C(=O)[C@H](C)N3C(=O)CCC3=O)CC2)c1.
What is the InChIKey of 1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
The InChIKey is LSCFHQKECADNHC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-4-5-14(2)17(12-13)16-8-10-21(11-9-16)20(25)15(3)22-18(23)6-7-19(22)24/h4-5,12,15-16H,6-11H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione?
1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione has a molecular weight of 342.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[4-(2,5-dimethylphenyl)piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 164629672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).