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

C23H23N3O4 — CID 1366453

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C23H23N3O4/c27-20(12-15-26-22(29)16-8-2-3-9-17(16)23(26)30)24-19-11-5-4-10-18(19)21(28)25-13-6-1-7-14-25/h2-5,8-11H,1,6-7,12-15H2,(H,24,27)
InChIKeyAHWFBTSEVIIENE-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.94
Rot. Bonds5

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

3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide (PubChem CID 1366453) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
PubChem CID1366453
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C23H23N3O4/c27-20(12-15-26-22(29)16-8-2-3-9-17(16)23(26)30)24-19-11-5-4-10-18(19)21(28)25-13-6-1-7-14-25/h2-5,8-11H,1,6-7,12-15H2,(H,24,27)
InChIKeyAHWFBTSEVIIENE-UHFFFAOYSA-N
XLogP2.94
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.94
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-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 30442450
2-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 1223346
3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 51510540
4-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]butanamide
CID 2883170
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35328696
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide (CID 1366453) is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
The InChIKey is AHWFBTSEVIIENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-20(12-15-26-22(29)16-8-2-3-9-17(16)23(26)30)24-19-11-5-4-10-18(19)21(28)25-13-6-1-7-14-25/h2-5,8-11H,1,6-7,12-15H2,(H,24,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide has a molecular weight of 405.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 1366453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).