(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione

C17H22N2O2 — CID 124717691

IUPAC(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
SMILESC[C@@H]1C[C@@H](C)CN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C17H22N2O2/c1-12-8-13(2)11-18(10-12)15-9-16(20)19(17(15)21)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t12-,13-,15+/m1/s1
InChIKeyYFQMFQRPTBVDOM-NFAWXSAZSA-N
MW286.37 g/mol
LogP2.30
Rot. Bonds2

About (3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione

(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 124717691) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
PubChem CID124717691
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
SMILESC[C@@H]1C[C@@H](C)CN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1
InChIInChI=1S/C17H22N2O2/c1-12-8-13(2)11-18(10-12)15-9-16(20)19(17(15)21)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t12-,13-,15+/m1/s1
InChIKeyYFQMFQRPTBVDOM-NFAWXSAZSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.30
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

(3R)-1-(3,4-difluorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrrolidine-2,5-dione
CID 29101458
3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 4144237
[2-(2-chlorophenyl)-2-oxoethyl] 4-[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23098216
4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazine-1-carbaldehyde
CID 2877126
(3S)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 1230638
3-(2,6-dimethylmorpholin-4-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 3139865
(3S)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 8008090
(3R)-1-(4-bromophenyl)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrrolidine-2,5-dione
CID 7784115
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
(3S)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 1113020
(3R)-3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 698856
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2849920

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione (CID 124717691) is (3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione is C[C@@H]1C[C@@H](C)CN([C@H]2CC(=O)N(c3ccccc3)C2=O)C1.
What is the InChIKey of (3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is YFQMFQRPTBVDOM-NFAWXSAZSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-8-13(2)11-18(10-12)15-9-16(20)19(17(15)21)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3/t12-,13-,15+/m1/s1.
What are the key properties of (3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione?
(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 286.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 124717691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).