N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide

C11H19BrN2O2 — CID 114327932

IUPACN-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide
SMILESCC(=O)N1CCC(NC(=O)C(C)(C)Br)CC1
InChIInChI=1S/C11H19BrN2O2/c1-8(15)14-6-4-9(5-7-14)13-10(16)11(2,3)12/h9H,4-7H2,1-3H3,(H,13,16)
InChIKeyQHOXAQDULQYUHS-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.29
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide

N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide (PubChem CID 114327932) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide
PubChem CID114327932
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide
SMILESCC(=O)N1CCC(NC(=O)C(C)(C)Br)CC1
InChIInChI=1S/C11H19BrN2O2/c1-8(15)14-6-4-9(5-7-14)13-10(16)11(2,3)12/h9H,4-7H2,1-3H3,(H,13,16)
InChIKeyQHOXAQDULQYUHS-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

4-Tert-butylcarbonylaminopiperidine
CID 1445176
N-(1-propanoylpiperidin-4-yl)acetamide
CID 46228315
N-(1-acetylpiperidin-4-yl)propanamide
CID 46228316
2-methyl-N-[1-(propan-2-yl)piperidin-4-yl]propanamide
CID 25236583
2-methyl-N-(1-propylpiperidin-4-yl)propanamide
CID 25236862
N-(1-ethylpiperidin-4-yl)butanamide
CID 17250288
2,2-dimethyl-N-[1-(methylethyl)(4-piperidyl)]propanamide
CID 25236580
N-[1-(propan-2-yl)piperidin-4-yl]butanamide
CID 25236642
1-(4-Aminopiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 16777933
N-(1-propylpiperidin-4-yl)butanamide
CID 17250177
1-(4-Aminopiperidin-1-yl)-2-methylpropan-1-one
CID 16772991
2-Methyl-N-(piperidin-4-yl)propanamide
CID 16794323

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide (CID 114327932) is N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide is CC(=O)N1CCC(NC(=O)C(C)(C)Br)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide?
The InChIKey is QHOXAQDULQYUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-8(15)14-6-4-9(5-7-14)13-10(16)11(2,3)12/h9H,4-7H2,1-3H3,(H,13,16).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide?
N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide 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 N-(1-acetylpiperidin-4-yl)-2-bromo-2-methylpropanamide is sourced from PubChem (CID 114327932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).