N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide

C10H17BrN2O3 — CID 63680285

IUPACN-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(C(=O)CBr)CC1
InChIInChI=1S/C10H17BrN2O3/c1-16-7-9(14)12-8-2-4-13(5-3-8)10(15)6-11/h8H,2-7H2,1H3,(H,12,14)
InChIKeyKFKQXVFQZLERAO-UHFFFAOYSA-N
MW293.16 g/mol
LogP0.13
Rot. Bonds4

About N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide

N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide (PubChem CID 63680285) has the molecular formula C10H17BrN2O3 and a molecular weight of 293.16 g/mol. Its IUPAC name is N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
PubChem CID63680285
Molecular FormulaC10H17BrN2O3
Molecular Weight293.16 g/mol
Exact Mass292.04
IUPAC NameN-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(C(=O)CBr)CC1
InChIInChI=1S/C10H17BrN2O3/c1-16-7-9(14)12-8-2-4-13(5-3-8)10(15)6-11/h8H,2-7H2,1H3,(H,12,14)
InChIKeyKFKQXVFQZLERAO-UHFFFAOYSA-N
XLogP0.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 114014853
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 54872286
N-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 65466624
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108562763
N,N-diethyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide
CID 108562550
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 61265439
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
N-[1-[2-(ethylamino)-2-methylpropanoyl]piperidin-4-yl]-2-methoxyacetamide
CID 62836448
2-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557222

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide (CID 63680285) is N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(C(=O)CBr)CC1.
What is the InChIKey of N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is KFKQXVFQZLERAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O3/c1-16-7-9(14)12-8-2-4-13(5-3-8)10(15)6-11/h8H,2-7H2,1H3,(H,12,14).
What are the key properties of N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide?
N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 293.16 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 63680285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).