3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione

C25H30N4O3 — CID 134494465

IUPAC3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1cnc(N2CCN(C(=O)c3ccc(C4(C(C)C)CC(=O)NC4=O)cc3)CC2)c(C)c1
InChIInChI=1S/C25H30N4O3/c1-16(2)25(14-21(30)27-24(25)32)20-7-5-19(6-8-20)23(31)29-11-9-28(10-12-29)22-18(4)13-17(3)15-26-22/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,27,30,32)
InChIKeyZMYGHSYJGGNMJM-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.60
Rot. Bonds4

About 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione

3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 134494465) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID134494465
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1cnc(N2CCN(C(=O)c3ccc(C4(C(C)C)CC(=O)NC4=O)cc3)CC2)c(C)c1
InChIInChI=1S/C25H30N4O3/c1-16(2)25(14-21(30)27-24(25)32)20-7-5-19(6-8-20)23(31)29-11-9-28(10-12-29)22-18(4)13-17(3)15-26-22/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,27,30,32)
InChIKeyZMYGHSYJGGNMJM-UHFFFAOYSA-N
XLogP2.60
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione;(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylpyrrolidine-2,5-dione
CID 158249149
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione
CID 134494545
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-[(2S)-1-methylsulfonylpropan-2-yl]phenyl]methanone
CID 147325253
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5,5-dimethylpyrrolidin-2-one
CID 141370646
1-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-methylimidazolidine-2,4-dione
CID 71252985
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 134494483
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-[(1S)-1-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone
CID 71253066
(5R)-5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-2-hydroxy-5-methylimidazolidin-4-one
CID 138464573
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-methylphenyl]-5-methylpyrrolidin-2-one
CID 141370907
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(6-fluoro-4-methyl-3-pyridinyl)methanone
CID 71252935
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 141265306

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 134494465) is 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione is Cc1cnc(N2CCN(C(=O)c3ccc(C4(C(C)C)CC(=O)NC4=O)cc3)CC2)c(C)c1.
What is the InChIKey of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is ZMYGHSYJGGNMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16(2)25(14-21(30)27-24(25)32)20-7-5-19(6-8-20)23(31)29-11-9-28(10-12-29)22-18(4)13-17(3)15-26-22/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,27,30,32).
What are the key properties of 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione?
3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 434.54 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 134494465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).