2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

C11H21BrN2O — CID 63679463

IUPAC2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)CBr)CC1
InChIInChI=1S/C11H21BrN2O/c1-10-3-7-14(8-4-10)6-2-5-13-11(15)9-12/h10H,2-9H2,1H3,(H,13,15)
InChIKeyIMIHSJDMXACFFY-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.62
Rot. Bonds5

About 2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 63679463) has the molecular formula C11H21BrN2O and a molecular weight of 277.21 g/mol. Its IUPAC name is 2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID63679463
Molecular FormulaC11H21BrN2O
Molecular Weight277.21 g/mol
Exact Mass276.08
IUPAC Name2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)CBr)CC1
InChIInChI=1S/C11H21BrN2O/c1-10-3-7-14(8-4-10)6-2-5-13-11(15)9-12/h10H,2-9H2,1H3,(H,13,15)
InChIKeyIMIHSJDMXACFFY-UHFFFAOYSA-N
XLogP1.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methylpiperidin-1-yl)propyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604980
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
3-(4-methylpiperidin-1-yl)-N-[10-(4-methylpiperidin-1-yl)-8-oxodecyl]propanamide
CID 165007896
ethyl 4-[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163180
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 81172973
N',4-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111211910
2-methyl-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]propanamide
CID 111387677

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (CID 63679463) is 2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is CC1CCN(CCCNC(=O)CBr)CC1.
What is the InChIKey of 2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is IMIHSJDMXACFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O/c1-10-3-7-14(8-4-10)6-2-5-13-11(15)9-12/h10H,2-9H2,1H3,(H,13,15).
What are the key properties of 2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 277.21 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 63679463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).