2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide

C9H15BrN2O3 — CID 106240255

IUPAC2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide
SMILESNC(=O)COCCN1CCCC(Br)C1=O
InChIInChI=1S/C9H15BrN2O3/c10-7-2-1-3-12(9(7)14)4-5-15-6-8(11)13/h7H,1-6H2,(H2,11,13)
InChIKeyVAXWFJCTYQFRFF-UHFFFAOYSA-N
MW279.13 g/mol
LogP-0.13
Rot. Bonds5

About 2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide

2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide (PubChem CID 106240255) has the molecular formula C9H15BrN2O3 and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide
PubChem CID106240255
Molecular FormulaC9H15BrN2O3
Molecular Weight279.13 g/mol
Exact Mass278.03
IUPAC Name2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide
SMILESNC(=O)COCCN1CCCC(Br)C1=O
InChIInChI=1S/C9H15BrN2O3/c10-7-2-1-3-12(9(7)14)4-5-15-6-8(11)13/h7H,1-6H2,(H2,11,13)
InChIKeyVAXWFJCTYQFRFF-UHFFFAOYSA-N
XLogP-0.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[2-(2-iminopyrrolidin-1-yl)ethoxy]acetamide
CID 106238500
3-bromo-1-hex-5-ynylpiperidin-2-one
CID 106211576
3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one
CID 23114648
2-(3-bromo-2-oxopyrrolidin-1-yl)ethylurea
CID 83115540
3-bromo-1-(2-methylprop-2-enyl)piperidin-2-one
CID 114619151
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 104766118
2-[5-(2-piperidin-1-ylethoxy)pentoxy]acetamide
CID 142368425
2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 71581754
2-(3-bromo-2-oxopiperidin-1-yl)-N-tert-butylacetamide
CID 115357264
N-[3-(3-bromo-2-oxopiperidin-1-yl)propyl]methanesulfonamide
CID 106339440
methyl 3-[(3S)-3-bromo-2-oxopyrrolidin-1-yl]propanoate
CID 124508781
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide (CID 106240255) is 2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide is NC(=O)COCCN1CCCC(Br)C1=O.
What is the InChIKey of 2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide?
The InChIKey is VAXWFJCTYQFRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2O3/c10-7-2-1-3-12(9(7)14)4-5-15-6-8(11)13/h7H,1-6H2,(H2,11,13).
What are the key properties of 2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide?
2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide has a molecular weight of 279.13 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide is sourced from PubChem (CID 106240255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).