N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide

C23H23N3O6 — CID 108558162

IUPACN-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESO=C(NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C23H23N3O6/c27-16-11-14(12-17(28)13-16)21(30)24-15-5-8-25(9-6-15)20(29)7-10-26-22(31)18-3-1-2-4-19(18)23(26)32/h1-4,11-13,15,27-28H,5-10H2,(H,24,30)
InChIKeyWITULMFGTSXKME-UHFFFAOYSA-N
MW437.45 g/mol
LogP1.50
Rot. Bonds5

About N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide

N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide (PubChem CID 108558162) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
PubChem CID108558162
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC NameN-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESO=C(NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C23H23N3O6/c27-16-11-14(12-17(28)13-16)21(30)24-15-5-8-25(9-6-15)20(29)7-10-26-22(31)18-3-1-2-4-19(18)23(26)32/h1-4,11-13,15,27-28H,5-10H2,(H,24,30)
InChIKeyWITULMFGTSXKME-UHFFFAOYSA-N
XLogP1.50
TPSA127.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550045
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide
CID 108550367
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556376
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
CID 108558510
2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 51323644
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548744
2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole
CID 108564716
N-[1-(3-chloropropanoyl)piperidin-4-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108562077
2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
CID 108551812

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide (CID 108558162) is N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide is O=C(NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1)c1cc(O)cc(O)c1.
What is the InChIKey of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide?
The InChIKey is WITULMFGTSXKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c27-16-11-14(12-17(28)13-16)21(30)24-15-5-8-25(9-6-15)20(29)7-10-26-22(31)18-3-1-2-4-19(18)23(26)32/h1-4,11-13,15,27-28H,5-10H2,(H,24,30).
What are the key properties of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide?
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide has a molecular weight of 437.45 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108558162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).