2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide

C11H19BrN2O2 — CID 115357264

IUPAC2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCCC(Br)C1=O
InChIInChI=1S/C11H19BrN2O2/c1-11(2,3)13-9(15)7-14-6-4-5-8(12)10(14)16/h8H,4-7H2,1-3H3,(H,13,15)
InChIKeyIOWLMYNZKPXCCX-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.29
Rot. Bonds2

About 2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide

2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide (PubChem CID 115357264) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide
PubChem CID115357264
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCCC(Br)C1=O
InChIInChI=1S/C11H19BrN2O2/c1-11(2,3)13-9(15)7-14-6-4-5-8(12)10(14)16/h8H,4-7H2,1-3H3,(H,13,15)
InChIKeyIOWLMYNZKPXCCX-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-(2-methylprop-2-enyl)piperidin-2-one
CID 114619151
tert-butyl 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594
N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 75468309
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide
CID 79548763
methyl 1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027276
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
N-tert-butyl-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)acetamide
CID 64852004
N-tert-butyl-2-(4-oxopiperidin-1-yl)acetamide
CID 24704213
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-oxoazepan-1-yl)acetamide
CID 119573783
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
N-[3-(3-bromo-2-oxopiperidin-1-yl)propyl]methanesulfonamide
CID 106339440
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 121184695

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide (CID 115357264) is 2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CCCC(Br)C1=O.
What is the InChIKey of 2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide?
The InChIKey is IOWLMYNZKPXCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-11(2,3)13-9(15)7-14-6-4-5-8(12)10(14)16/h8H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide?
2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide has a molecular weight of 291.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide is sourced from PubChem (CID 115357264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).