1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione

C17H21N3O3 — CID 110723652

IUPAC1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(C(=O)Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C17H21N3O3/c1-18-15(21)12-14(17(18)23)19-7-9-20(10-8-19)16(22)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyBBDDYVNPUDCNTC-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.13
Rot. Bonds3

About 1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione

1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 110723652) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID110723652
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(N2CCN(C(=O)Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C17H21N3O3/c1-18-15(21)12-14(17(18)23)19-7-9-20(10-8-19)16(22)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyBBDDYVNPUDCNTC-UHFFFAOYSA-N
XLogP0.13
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723679
(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 877553
1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
CID 146123827
N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 110748231
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
3-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 91926029
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 110723652) is 1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione is CN1C(=O)CC(N2CCN(C(=O)Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is BBDDYVNPUDCNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-18-15(21)12-14(17(18)23)19-7-9-20(10-8-19)16(22)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of 1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 315.37 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 110723652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).