N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide

C26H30N4O3 — CID 110562622

IUPACN-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
SMILESCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCN(c3cccc(C)c3)CC2)C1=O
InChIInChI=1S/C26H30N4O3/c1-4-12-30-25(32)23(20-8-10-21(11-9-20)27-19(3)31)24(26(30)33)29-15-13-28(14-16-29)22-7-5-6-18(2)17-22/h5-11,17H,4,12-16H2,1-3H3,(H,27,31)
InChIKeyWBXHFHTYCSXPGK-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.27
Rot. Bonds6

About N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide

N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide (PubChem CID 110562622) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
PubChem CID110562622
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
SMILESCCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCN(c3cccc(C)c3)CC2)C1=O
InChIInChI=1S/C26H30N4O3/c1-4-12-30-25(32)23(20-8-10-21(11-9-20)27-19(3)31)24(26(30)33)29-15-13-28(14-16-29)22-7-5-6-18(2)17-22/h5-11,17H,4,12-16H2,1-3H3,(H,27,31)
InChIKeyWBXHFHTYCSXPGK-UHFFFAOYSA-N
XLogP3.27
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.27
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

N-[4-[1-butyl-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562585
3-(4-methylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110572573
1-hexyl-3-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110572943
3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110548985
N-[4-[1-(3-ethoxypropyl)-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563090
N-[4-[1-ethyl-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562647
N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562653
N-[4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562551
N-[4-[4-(4-ethylpiperazin-1-yl)-1-methyl-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562694
N-[4-[1-(3,5-dimethylphenyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
CID 110563209
N-[4-[4-(4-ethylpiperazin-1-yl)-2,5-dioxo-1-prop-2-enylpyrrol-3-yl]phenyl]acetamide
CID 110563035
N-[4-[1-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563400

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide (CID 110562622) is N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide is CCCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N2CCN(c3cccc(C)c3)CC2)C1=O.
What is the InChIKey of N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide?
The InChIKey is WBXHFHTYCSXPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-4-12-30-25(32)23(20-8-10-21(11-9-20)27-19(3)31)24(26(30)33)29-15-13-28(14-16-29)22-7-5-6-18(2)17-22/h5-11,17H,4,12-16H2,1-3H3,(H,27,31).
What are the key properties of N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide?
N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide has a molecular weight of 446.55 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).