2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide

C14H25FN2O3 — CID 127267487

IUPAC2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide
SMILESCCCCCOCC(=O)N1CCC(C(F)C(N)=O)CC1
InChIInChI=1S/C14H25FN2O3/c1-2-3-4-9-20-10-12(18)17-7-5-11(6-8-17)13(15)14(16)19/h11,13H,2-10H2,1H3,(H2,16,19)
InChIKeyHJSIGGLUUVFMMD-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.26
Rot. Bonds8

About 2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide

2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide (PubChem CID 127267487) has the molecular formula C14H25FN2O3 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide
PubChem CID127267487
Molecular FormulaC14H25FN2O3
Molecular Weight288.36 g/mol
Exact Mass288.18
IUPAC Name2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide
SMILESCCCCCOCC(=O)N1CCC(C(F)C(N)=O)CC1
InChIInChI=1S/C14H25FN2O3/c1-2-3-4-9-20-10-12(18)17-7-5-11(6-8-17)13(15)14(16)19/h11,13H,2-10H2,1H3,(H2,16,19)
InChIKeyHJSIGGLUUVFMMD-UHFFFAOYSA-N
XLogP1.26
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
CID 119560030
1-[4-(difluoromethylidene)piperidin-1-yl]-2-pentoxyethanone
CID 126833755
3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide
CID 126820006
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pentoxyethanone;hydrochloride
CID 119635204
1-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pentoxyethanone
CID 126842122
1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone
CID 126837154
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-(4-ethynyl-4-hydroxypiperidin-1-yl)-2-pentoxyethanone
CID 126833813
(3S,4S)-4-methyl-1-(2-pentoxyacetyl)pyrrolidine-3-carboxylic acid
CID 120952187
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride
CID 120817634

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide (CID 127267487) is 2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide is CCCCCOCC(=O)N1CCC(C(F)C(N)=O)CC1.
What is the InChIKey of 2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide?
The InChIKey is HJSIGGLUUVFMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O3/c1-2-3-4-9-20-10-12(18)17-7-5-11(6-8-17)13(15)14(16)19/h11,13H,2-10H2,1H3,(H2,16,19).
What are the key properties of 2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide?
2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide has a molecular weight of 288.36 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 127267487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).