3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide

C23H25N3O3 — CID 110362187

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide
SMILESCc1ccc(N2CCCCC2)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N3O3/c1-16-9-10-17(25-12-5-2-6-13-25)15-20(16)24-21(27)11-14-26-22(28)18-7-3-4-8-19(18)23(26)29/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,27)
InChIKeyWANRLNCOOWQIMS-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.61
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide (PubChem CID 110362187) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide
PubChem CID110362187
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide
SMILESCc1ccc(N2CCCCC2)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H25N3O3/c1-16-9-10-17(25-12-5-2-6-13-25)15-20(16)24-21(27)11-14-26-22(28)18-7-3-4-8-19(18)23(26)29/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,27)
InChIKeyWANRLNCOOWQIMS-UHFFFAOYSA-N
XLogP3.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.61
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-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26775491
3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylbenzoic acid
CID 1250549
4-(1,3-dioxoisoindol-2-yl)-N-(2-fluoro-5-pyrrolidin-1-ylphenyl)butanamide
CID 110361837
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylphenyl)butanamide
CID 110362135
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110361923
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 36565579
3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 1366453
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
N-[5-(azepan-1-yl)-2-pyridinyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 39072386
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867506
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide (CID 110362187) is 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide is Cc1ccc(N2CCCCC2)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide?
The InChIKey is WANRLNCOOWQIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-9-10-17(25-12-5-2-6-13-25)15-20(16)24-21(27)11-14-26-22(28)18-7-3-4-8-19(18)23(26)29/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,24,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide has a molecular weight of 391.47 g/mol, XLogP of 3.61, 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-methyl-5-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 110362187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).