2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide

C11H21BrN2O — CID 114328609

IUPAC2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(N(C)C(=O)C(C)(C)Br)C1
InChIInChI=1S/C11H21BrN2O/c1-11(2,12)10(15)14(4)9-6-5-7-13(3)8-9/h9H,5-8H2,1-4H3
InChIKeyRUWFSBLLRNWIML-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.71
Rot. Bonds2

About 2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide

2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide (PubChem CID 114328609) has the molecular formula C11H21BrN2O and a molecular weight of 277.21 g/mol. Its IUPAC name is 2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
PubChem CID114328609
Molecular FormulaC11H21BrN2O
Molecular Weight277.21 g/mol
Exact Mass276.08
IUPAC Name2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
SMILESCN1CCCC(N(C)C(=O)C(C)(C)Br)C1
InChIInChI=1S/C11H21BrN2O/c1-11(2,12)10(15)14(4)9-6-5-7-13(3)8-9/h9H,5-8H2,1-4H3
InChIKeyRUWFSBLLRNWIML-UHFFFAOYSA-N
XLogP1.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoic acid
CID 82820537
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
3-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)-3-sulfanylidenepropanamide
CID 55084851
methyl 2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoate
CID 115174806
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
2-amino-N-methyl-N-[(3S)-1-methylpiperidin-3-yl]acetamide
CID 66565804
2-cyano-N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115175075
N-methyl-N-(1-methylpiperidin-3-yl)but-2-enamide
CID 79005735
3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115154624
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide?
The IUPAC name of 2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide (CID 114328609) is 2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide is CN1CCCC(N(C)C(=O)C(C)(C)Br)C1.
What is the InChIKey of 2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide?
The InChIKey is RUWFSBLLRNWIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O/c1-11(2,12)10(15)14(4)9-6-5-7-13(3)8-9/h9H,5-8H2,1-4H3.
What are the key properties of 2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide?
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide has a molecular weight of 277.21 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 114328609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).