2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide

C18H23N3O3 — CID 119427532

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide
SMILESCC(C)C(C(=O)NC1CCCNC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H23N3O3/c1-11(2)15(16(22)20-12-6-5-9-19-10-12)21-17(23)13-7-3-4-8-14(13)18(21)24/h3-4,7-8,11-12,15,19H,5-6,9-10H2,1-2H3,(H,20,22)
InChIKeyHWPLEXXSPZSDTH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.18
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide (PubChem CID 119427532) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide
PubChem CID119427532
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide
SMILESCC(C)C(C(=O)NC1CCCNC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H23N3O3/c1-11(2)15(16(22)20-12-6-5-9-19-10-12)21-17(23)13-7-3-4-8-14(13)18(21)24/h3-4,7-8,11-12,15,19H,5-6,9-10H2,1-2H3,(H,20,22)
InChIKeyHWPLEXXSPZSDTH-UHFFFAOYSA-N
XLogP1.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.18
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-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 84873355
ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]piperidine-1-carboxylate
CID 55349281
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-3-methylbutanamide
CID 680589
N-(2-amino-1-cyclohexylethyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide;hydrochloride
CID 119591097
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
N-(3,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 55345703
(2S)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 1182064
N-cyclopentyl-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 4547476
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 19228295
2-naphthalen-2-yl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428640
N-piperidin-3-ylbenzamide
CID 22017045

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide (CID 119427532) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide is CC(C)C(C(=O)NC1CCCNC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide?
The InChIKey is HWPLEXXSPZSDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(2)15(16(22)20-12-6-5-9-19-10-12)21-17(23)13-7-3-4-8-14(13)18(21)24/h3-4,7-8,11-12,15,19H,5-6,9-10H2,1-2H3,(H,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide?
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide has a molecular weight of 329.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-piperidin-3-ylbutanamide is sourced from PubChem (CID 119427532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).