3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide

C15H22N2O3 — CID 170777735

IUPAC3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)(C)C12CC(C(=O)NC3CCC(=O)NC3=O)(C1)C2
InChIInChI=1S/C15H22N2O3/c1-13(2,3)15-6-14(7-15,8-15)12(20)16-9-4-5-10(18)17-11(9)19/h9H,4-8H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyJAZMFMSBAUWGQY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.12
Rot. Bonds2

About 3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide

3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 170777735) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID170777735
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCC(C)(C)C12CC(C(=O)NC3CCC(=O)NC3=O)(C1)C2
InChIInChI=1S/C15H22N2O3/c1-13(2,3)15-6-14(7-15,8-15)12(20)16-9-4-5-10(18)17-11(9)19/h9H,4-8H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyJAZMFMSBAUWGQY-UHFFFAOYSA-N
XLogP1.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-3-methoxy-3-methylbutanamide
CID 103021311
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
2-[tert-butyl-[(2,6-dioxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79256698
ethane;S-ethyl N-(2,6-dioxopiperidin-3-yl)carbamothioate
CID 166478743
N-(2,6-dioxopiperidin-3-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80594472
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 95988791
N-(2,6-dioxopiperidin-3-yl)-5-fluoropyridine-3-carboxamide
CID 115747901
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635
N-(2,6-dioxopiperidin-3-yl)but-3-enamide
CID 65439330
5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide
CID 170003318
2-tert-butyl-N-(2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 167377021

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide (CID 170777735) is 3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide is CC(C)(C)C12CC(C(=O)NC3CCC(=O)NC3=O)(C1)C2.
What is the InChIKey of 3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is JAZMFMSBAUWGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-13(2,3)15-6-14(7-15,8-15)12(20)16-9-4-5-10(18)17-11(9)19/h9H,4-8H2,1-3H3,(H,16,20)(H,17,18,19).
What are the key properties of 3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide?
3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2,6-dioxopiperidin-3-yl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 170777735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).