N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

C20H25N3O4 — CID 108560251

IUPACN-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)CC1
InChIInChI=1S/C20H25N3O4/c1-12(2)11-23-19(26)16-5-4-14(10-17(16)20(23)27)18(25)21-15-6-8-22(9-7-15)13(3)24/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyIIFOTRZUSFFILX-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.68
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108560251) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID108560251
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)CC1
InChIInChI=1S/C20H25N3O4/c1-12(2)11-23-19(26)16-5-4-14(10-17(16)20(23)27)18(25)21-15-6-8-22(9-7-15)13(3)24/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyIIFOTRZUSFFILX-UHFFFAOYSA-N
XLogP1.68
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.68
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-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
CID 108556866
2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide
CID 108557655
5-(4-acetylpiperazine-1-carbonyl)-2-(2-methylpropyl)isoindole-1,3-dione
CID 39349762
N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108540249
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide
CID 108555243
prop-2-enyl N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]carbamate
CID 108564492
2-chloro-N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propanamide
CID 108564596
N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9320739
2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108560333
2-tert-butyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108551790
tert-butyl N-[3-[4-[[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919268
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-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 108560251) is N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is CC(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IIFOTRZUSFFILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12(2)11-23-19(26)16-5-4-14(10-17(16)20(23)27)18(25)21-15-6-8-22(9-7-15)13(3)24/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,21,25).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108560251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).