N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide

C20H25N3O4 — CID 108564583

IUPACN-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)CC1
InChIInChI=1S/C20H25N3O4/c1-12(24)21-14-7-9-22(10-8-14)17(25)13-5-6-15-16(11-13)19(27)23(18(15)26)20(2,3)4/h5-6,11,14H,7-10H2,1-4H3,(H,21,24)
InChIKeyWAAZEGHLHSZYMS-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.82
Rot. Bonds2

About N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide

N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide (PubChem CID 108564583) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide
PubChem CID108564583
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)CC1
InChIInChI=1S/C20H25N3O4/c1-12(24)21-14-7-9-22(10-8-14)17(25)13-5-6-15-16(11-13)19(27)23(18(15)26)20(2,3)4/h5-6,11,14H,7-10H2,1-4H3,(H,21,24)
InChIKeyWAAZEGHLHSZYMS-UHFFFAOYSA-N
XLogP1.82
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.82
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

2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
CID 108551795
prop-2-enyl N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]carbamate
CID 108564579
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
methyl 1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidine-3-carboxylate
CID 108754862
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808
2-tert-butyl-5-[4-(2-methylpropanoyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione
CID 108545919
2-tert-butyl-5-(4-propanoyl-1,4-diazepane-1-carbonyl)isoindole-1,3-dione
CID 108545909
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
2,2-dichloro-N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]acetamide
CID 108564460
3-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-1,1-dimethylurea
CID 108564466
N-[1-(2-fluoropyridine-4-carbonyl)piperidin-4-yl]acetamide
CID 113228864

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide (CID 108564583) is N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)CC1.
What is the InChIKey of N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is WAAZEGHLHSZYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12(24)21-14-7-9-22(10-8-14)17(25)13-5-6-15-16(11-13)19(27)23(18(15)26)20(2,3)4/h5-6,11,14H,7-10H2,1-4H3,(H,21,24).
What are the key properties of N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide?
N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108564583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).