2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide

C10H17BrN2O3 — CID 63681407

IUPAC2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N1CCC(NC(=O)CBr)CC1
InChIInChI=1S/C10H17BrN2O3/c1-16-7-10(15)13-4-2-8(3-5-13)12-9(14)6-11/h8H,2-7H2,1H3,(H,12,14)
InChIKeyUXRPECBTSRTNMU-UHFFFAOYSA-N
MW293.16 g/mol
LogP0.13
Rot. Bonds4

About 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide

2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide (PubChem CID 63681407) has the molecular formula C10H17BrN2O3 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
PubChem CID63681407
Molecular FormulaC10H17BrN2O3
Molecular Weight293.16 g/mol
Exact Mass292.04
IUPAC Name2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N1CCC(NC(=O)CBr)CC1
InChIInChI=1S/C10H17BrN2O3/c1-16-7-10(15)13-4-2-8(3-5-13)12-9(14)6-11/h8H,2-7H2,1H3,(H,12,14)
InChIKeyUXRPECBTSRTNMU-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

N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
CID 63680285
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958326
3-(ethylamino)-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 62833950
N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 114014853
5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62963865
4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
CID 81076250
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497433

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide (CID 63681407) is 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide is COCC(=O)N1CCC(NC(=O)CBr)CC1.
What is the InChIKey of 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide?
The InChIKey is UXRPECBTSRTNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O3/c1-16-7-10(15)13-4-2-8(3-5-13)12-9(14)6-11/h8H,2-7H2,1H3,(H,12,14).
What are the key properties of 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide?
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide 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 2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 63681407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).