N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide

C21H27N3O3 — CID 110562964

IUPACN-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCCCC3)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C21H27N3O3/c1-14(2)13-24-20(26)18(16-7-9-17(10-8-16)22-15(3)25)19(21(24)27)23-11-5-4-6-12-23/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,25)
InChIKeyQHFHKSRYPXLIPJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.87
Rot. Bonds5

About N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide

N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide (PubChem CID 110562964) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
PubChem CID110562964
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2=C(N3CCCCC3)C(=O)N(CC(C)C)C2=O)cc1
InChIInChI=1S/C21H27N3O3/c1-14(2)13-24-20(26)18(16-7-9-17(10-8-16)22-15(3)25)19(21(24)27)23-11-5-4-6-12-23/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,25)
InChIKeyQHFHKSRYPXLIPJ-UHFFFAOYSA-N
XLogP2.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-1-(2-methylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110572897
N-[4-[2,5-dioxo-4-piperidin-1-yl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562490
N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562986
N-[4-(1-ethyl-4-morpholin-4-yl-2,5-dioxopyrrol-3-yl)phenyl]acetamide
CID 110562653
N-[4-[1-ethyl-4-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562647
N-[4-[4-ethylsulfanyl-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562992
N-[4-[1-butyl-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562585
N-[4-[1-(3,5-dimethylphenyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide
CID 110563209
N-[4-[4-(4-methylpiperidin-1-yl)-2,5-dioxo-1-(oxolan-2-ylmethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562376
N-[4-[4-(4-fluoroanilino)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596517
N-[4-[4-[4-(dimethylamino)anilino]-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596516
N-[4-[4-[3-(hydroxymethyl)piperidin-1-yl]-2,5-dioxo-1-(2-propan-2-yloxyethyl)pyrrol-3-yl]phenyl]acetamide
CID 110562777

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide (CID 110562964) is N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2=C(N3CCCCC3)C(=O)N(CC(C)C)C2=O)cc1.
What is the InChIKey of N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide?
The InChIKey is QHFHKSRYPXLIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(2)13-24-20(26)18(16-7-9-17(10-8-16)22-15(3)25)19(21(24)27)23-11-5-4-6-12-23/h7-10,14H,4-6,11-13H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide?
N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-methylpropyl)-2,5-dioxo-4-piperidin-1-ylpyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 110562964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).