2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide

C22H21N3O4 — CID 1223346

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C22H21N3O4/c26-19(14-25-21(28)15-8-2-3-9-16(15)22(25)29)23-18-11-5-4-10-17(18)20(27)24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-14H2,(H,23,26)
InChIKeyYXXOMQCXBSODJH-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.55
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 1223346) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID1223346
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C22H21N3O4/c26-19(14-25-21(28)15-8-2-3-9-16(15)22(25)29)23-18-11-5-4-10-17(18)20(27)24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-14H2,(H,23,26)
InChIKeyYXXOMQCXBSODJH-UHFFFAOYSA-N
XLogP2.55
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.55
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-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 1366453
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzamide
CID 4692603
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 30442450
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 24982612
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 2883170
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419716
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 51510540

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide (CID 1223346) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is YXXOMQCXBSODJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c26-19(14-25-21(28)15-8-2-3-9-16(15)22(25)29)23-18-11-5-4-10-17(18)20(27)24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-14H2,(H,23,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 1223346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).