2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide

C11H19BrN2O2 — CID 107905705

IUPAC2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
SMILESCC(Br)C(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C11H19BrN2O2/c1-9(12)11(16)13-6-5-10(15)14-7-3-2-4-8-14/h9H,2-8H2,1H3,(H,13,16)
InChIKeyHAPUFJNSEQEQDD-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.29
Rot. Bonds4

About 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide

2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide (PubChem CID 107905705) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
PubChem CID107905705
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
SMILESCC(Br)C(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C11H19BrN2O2/c1-9(12)11(16)13-6-5-10(15)14-7-3-2-4-8-14/h9H,2-8H2,1H3,(H,13,16)
InChIKeyHAPUFJNSEQEQDD-UHFFFAOYSA-N
XLogP1.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 104685586
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
4-amino-2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 80543621
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 94820370
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 113263956
(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103996387
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide
CID 61248901
(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994413
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide?
The IUPAC name of 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide (CID 107905705) is 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide is CC(Br)C(=O)NCCC(=O)N1CCCCC1.
What is the InChIKey of 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide?
The InChIKey is HAPUFJNSEQEQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c1-9(12)11(16)13-6-5-10(15)14-7-3-2-4-8-14/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide?
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide has a molecular weight of 291.19 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide is sourced from PubChem (CID 107905705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).