2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide

C17H21N3O3 — CID 18407081

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccccc1C1CCNCC1
InChIInChI=1S/C17H21N3O3/c21-15(11-20-16(22)5-6-17(20)23)19-14-4-2-1-3-13(14)12-7-9-18-10-8-12/h1-4,12,18H,5-11H2,(H,19,21)
InChIKeyBZKUGBMZIOVFPS-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.24
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide (PubChem CID 18407081) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide
PubChem CID18407081
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccccc1C1CCNCC1
InChIInChI=1S/C17H21N3O3/c21-15(11-20-16(22)5-6-17(20)23)19-14-4-2-1-3-13(14)12-7-9-18-10-8-12/h1-4,12,18H,5-11H2,(H,19,21)
InChIKeyBZKUGBMZIOVFPS-UHFFFAOYSA-N
XLogP1.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide
CID 124638804
N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
9H-fluoren-9-ylmethyl N-(2-piperidin-4-ylphenyl)carbamate
CID 131725247
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
2-(2-oxo-3,4-dihydroquinolin-1-yl)-N-piperidin-4-ylacetamide
CID 125134274
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752264
(1S,5R)-7-oxo-2-[(2-piperidin-4-ylphenyl)carbamoyl]-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid
CID 67121301
1-phenyl-3-(2-pyrrolidin-3-ylphenyl)urea
CID 67251605
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-N-(2-hydroxyphenyl)acetamide
CID 4197157
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
(2-cyclopentylphenyl)urea
CID 154512225
tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
CID 83902120

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide (CID 18407081) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1ccccc1C1CCNCC1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide?
The InChIKey is BZKUGBMZIOVFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(11-20-16(22)5-6-17(20)23)19-14-4-2-1-3-13(14)12-7-9-18-10-8-12/h1-4,12,18H,5-11H2,(H,19,21).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-piperidin-4-ylphenyl)acetamide is sourced from PubChem (CID 18407081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).