3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione

C21H28N2O2 — CID 110559926

IUPAC3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
SMILESCC(C)CN1C(=O)C(c2ccccc2)=C(N2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C21H28N2O2/c1-14(2)11-23-20(24)18(17-8-6-5-7-9-17)19(21(23)25)22-12-15(3)10-16(4)13-22/h5-9,14-16H,10-13H2,1-4H3
InChIKeyNMMVIRJBMVDPGV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.40
Rot. Bonds4

About 3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione

3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione (PubChem CID 110559926) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
PubChem CID110559926
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
SMILESCC(C)CN1C(=O)C(c2ccccc2)=C(N2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C21H28N2O2/c1-14(2)11-23-20(24)18(17-8-6-5-7-9-17)19(21(23)25)22-12-15(3)10-16(4)13-22/h5-9,14-16H,10-13H2,1-4H3
InChIKeyNMMVIRJBMVDPGV-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.40
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

3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110572895
3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559373
3-(3,5-dimethylpiperidin-1-yl)-4-phenyl-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110559556
3-(3,5-dimethylpiperidin-1-yl)-1-(2-morpholin-4-ylethyl)-4-phenylpyrrole-2,5-dione
CID 110560153
3-(3,5-dimethylpiperidin-1-yl)-1-[(4-methoxyphenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110558897
3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110570022
4-[[3-(3,5-dimethylpiperidin-1-yl)-2,5-dioxo-4-phenylpyrrol-1-yl]methyl]benzenesulfonamide
CID 110559840
3-(3,5-dimethylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]-4-phenylpyrrole-2,5-dione
CID 110561377
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
CID 110559937
1-benzyl-3-(3,5-dimethylpiperidin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541203
3-(4-methylphenyl)-1-(2-methylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110572897
3-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110574953

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione (CID 110559926) is 3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione is CC(C)CN1C(=O)C(c2ccccc2)=C(N2CC(C)CC(C)C2)C1=O.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione?
The InChIKey is NMMVIRJBMVDPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-14(2)11-23-20(24)18(17-8-6-5-7-9-17)19(21(23)25)22-12-15(3)10-16(4)13-22/h5-9,14-16H,10-13H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione?
3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione has a molecular weight of 340.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110559926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).