3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide

C20H28N3O3+ — CID 8885673

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)(C)[NH2+]1
InChIInChI=1S/C20H27N3O3/c1-19(2)11-13(12-20(3,4)22-19)21-16(24)9-10-23-17(25)14-7-5-6-8-15(14)18(23)26/h5-8,13,22H,9-12H2,1-4H3,(H,21,24)/p+1
InChIKeyCLMBDPAEDZNFHM-UHFFFAOYSA-O
MW358.46 g/mol
LogP1.07
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide (PubChem CID 8885673) has the molecular formula C20H28N3O3+ and a molecular weight of 358.46 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide
PubChem CID8885673
Molecular FormulaC20H28N3O3+
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)(C)[NH2+]1
InChIInChI=1S/C20H27N3O3/c1-19(2)11-13(12-20(3,4)22-19)21-16(24)9-10-23-17(25)14-7-5-6-8-15(14)18(23)26/h5-8,13,22H,9-12H2,1-4H3,(H,21,24)/p+1
InChIKeyCLMBDPAEDZNFHM-UHFFFAOYSA-O
XLogP1.07
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 729676
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]propanamide
CID 110359311
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 95307373
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718
3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
CID 51074410
3-(1,3-dioxoisoindol-2-yl)-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 16822301
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 43971264
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl-di(propan-2-yl)azanium
CID 8919123
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556376

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide (CID 8885673) is 3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide is CC1(C)CC(NC(=O)CCN2C(=O)c3ccccc3C2=O)CC(C)(C)[NH2+]1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide?
The InChIKey is CLMBDPAEDZNFHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O3/c1-19(2)11-13(12-20(3,4)22-19)21-16(24)9-10-23-17(25)14-7-5-6-8-15(14)18(23)26/h5-8,13,22H,9-12H2,1-4H3,(H,21,24)/p+1.
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide has a molecular weight of 358.46 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)propanamide is sourced from PubChem (CID 8885673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).