1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione

C16H21N3O3 — CID 53358105

IUPAC1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CCC2=O)cc1N1CCN(C)CC1
InChIInChI=1S/C16H21N3O3/c1-17-7-9-18(10-8-17)13-11-12(3-4-14(13)22-2)19-15(20)5-6-16(19)21/h3-4,11H,5-10H2,1-2H3
InChIKeyHRFUFUAYMXTLKI-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.10
Rot. Bonds3

About 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione

1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione (PubChem CID 53358105) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
PubChem CID53358105
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)CCC2=O)cc1N1CCN(C)CC1
InChIInChI=1S/C16H21N3O3/c1-17-7-9-18(10-8-17)13-11-12(3-4-14(13)22-2)19-15(20)5-6-16(19)21/h3-4,11H,5-10H2,1-2H3
InChIKeyHRFUFUAYMXTLKI-UHFFFAOYSA-N
XLogP1.10
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-4-methylpiperazine
CID 20811370
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,2-dihydrobenzo[e]indole
CID 141072209
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione
CID 61351313
[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]boronic acid
CID 124926588
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-(2-naphthalen-2-ylethyl)piperazine
CID 140993283
1-[2-methoxy-5-[4-(3-phenylpropyl)piperidin-1-yl]phenyl]-4-methylpiperazine
CID 140993259
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
4-methoxy-3-(4-methylpiperazin-1-yl)-N-propoxyaniline
CID 175052036
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 100508329

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione (CID 53358105) is 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione is COc1ccc(N2C(=O)CCC2=O)cc1N1CCN(C)CC1.
What is the InChIKey of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is HRFUFUAYMXTLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-17-7-9-18(10-8-17)13-11-12(3-4-14(13)22-2)19-15(20)5-6-16(19)21/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione?
1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 303.36 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 53358105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).