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

C23H23N3O4 — CID 108555965

IUPACN-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1
InChIInChI=1S/C23H23N3O4/c27-20(12-15-26-22(29)18-8-4-5-9-19(18)23(26)30)25-13-10-17(11-14-25)24-21(28)16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,28)
InChIKeyONTRTWCXGVJUSI-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.09
Rot. Bonds5

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

N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide (PubChem CID 108555965) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
PubChem CID108555965
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1
InChIInChI=1S/C23H23N3O4/c27-20(12-15-26-22(29)18-8-4-5-9-19(18)23(26)30)25-13-10-17(11-14-25)24-21(28)16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,28)
InChIKeyONTRTWCXGVJUSI-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558162
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
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]-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-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
CID 108558510
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide (CID 108555965) is N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1.
What is the InChIKey of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide?
The InChIKey is ONTRTWCXGVJUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-20(12-15-26-22(29)18-8-4-5-9-19(18)23(26)30)25-13-10-17(11-14-25)24-21(28)16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,28).
What are the key properties of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide?
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide has a molecular weight of 405.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108555965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).