2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide

C19H24N4O4 — CID 55911786

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
SMILESCCN1CCN(CC(=O)Nc2cccc(CN3CCCC3=O)c2)C(=O)C1=O
InChIInChI=1S/C19H24N4O4/c1-2-21-9-10-23(19(27)18(21)26)13-16(24)20-15-6-3-5-14(11-15)12-22-8-4-7-17(22)25/h3,5-6,11H,2,4,7-10,12-13H2,1H3,(H,20,24)
InChIKeyMKGZUWSVSFULBL-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.44
Rot. Bonds6

About 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide (PubChem CID 55911786) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
PubChem CID55911786
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
SMILESCCN1CCN(CC(=O)Nc2cccc(CN3CCCC3=O)c2)C(=O)C1=O
InChIInChI=1S/C19H24N4O4/c1-2-21-9-10-23(19(27)18(21)26)13-16(24)20-15-6-3-5-14(11-15)12-22-8-4-7-17(22)25/h3,5-6,11H,2,4,7-10,12-13H2,1H3,(H,20,24)
InChIKeyMKGZUWSVSFULBL-UHFFFAOYSA-N
XLogP0.44
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 55699414
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
CID 37359459
methyl 2-[3-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]acetate
CID 99588705
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
3-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]but-2-enamide
CID 30875155
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 55967727
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
CID 49360216
N-(3-hydroxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 28789155
methyl 1-[2-oxo-2-[3-[(2-oxopyrrolidin-1-yl)methyl]anilino]ethyl]indole-3-carboxylate
CID 30875257
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063997
2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53063920
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 30873107

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide (CID 55911786) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide is CCN1CCN(CC(=O)Nc2cccc(CN3CCCC3=O)c2)C(=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?
The InChIKey is MKGZUWSVSFULBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-21-9-10-23(19(27)18(21)26)13-16(24)20-15-6-3-5-14(11-15)12-22-8-4-7-17(22)25/h3,5-6,11H,2,4,7-10,12-13H2,1H3,(H,20,24).
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 55911786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).