2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide

C23H23N3O5 — CID 108551682

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide
SMILESCC(C(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23N3O5/c1-14(26-22(30)18-7-2-3-8-19(18)23(26)31)20(28)24-16-9-11-25(12-10-16)21(29)15-5-4-6-17(27)13-15/h2-8,13-14,16,27H,9-12H2,1H3,(H,24,28)
InChIKeyXRQOJOSKEZKTHB-UHFFFAOYSA-N
MW421.45 g/mol
LogP1.80
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide

2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 108551682) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide
PubChem CID108551682
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide
SMILESCC(C(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23N3O5/c1-14(26-22(30)18-7-2-3-8-19(18)23(26)31)20(28)24-16-9-11-25(12-10-16)21(29)15-5-4-6-17(27)13-15/h2-8,13-14,16,27H,9-12H2,1H3,(H,24,28)
InChIKeyXRQOJOSKEZKTHB-UHFFFAOYSA-N
XLogP1.80
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108551631
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-oxopentanoyl)piperidin-4-yl]propanamide
CID 108551680
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide
CID 146083702
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554761
2,2-dichloro-N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]acetamide
CID 108564460
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51954783
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115579378
3-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-1,1-dimethylurea
CID 108564466
N-(1-butylsulfonylpiperidin-4-yl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108560252
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557789

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide (CID 108551682) is 2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide is CC(C(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is XRQOJOSKEZKTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-14(26-22(30)18-7-2-3-8-19(18)23(26)31)20(28)24-16-9-11-25(12-10-16)21(29)15-5-4-6-17(27)13-15/h2-8,13-14,16,27H,9-12H2,1H3,(H,24,28).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 421.45 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108551682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).