2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide

C21H27FN4O2 — CID 92634189

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide
SMILESCc1cc(C)nc(N2CCC(CC(=O)NCCOc3cccc(F)c3)CC2)n1
InChIInChI=1S/C21H27FN4O2/c1-15-12-16(2)25-21(24-15)26-9-6-17(7-10-26)13-20(27)23-8-11-28-19-5-3-4-18(22)14-19/h3-5,12,14,17H,6-11,13H2,1-2H3,(H,23,27)
InChIKeyUREWQYDHRDURNV-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.03
Rot. Bonds7

About 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide

2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide (PubChem CID 92634189) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide
PubChem CID92634189
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide
SMILESCc1cc(C)nc(N2CCC(CC(=O)NCCOc3cccc(F)c3)CC2)n1
InChIInChI=1S/C21H27FN4O2/c1-15-12-16(2)25-21(24-15)26-9-6-17(7-10-26)13-20(27)23-8-11-28-19-5-3-4-18(22)14-19/h3-5,12,14,17H,6-11,13H2,1-2H3,(H,23,27)
InChIKeyUREWQYDHRDURNV-UHFFFAOYSA-N
XLogP3.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905101
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908348
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634141
tert-butyl (2R)-2-[3-[2-(3-fluorophenoxy)ethylamino]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 124889172
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
ethyl 4-[N-[2-(3-fluorophenoxy)ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162981
N-[2-(3-fluorophenoxy)ethyl]-4-formylpiperazine-1-carboxamide
CID 112970333
(2R)-N-[2-(3-fluorophenoxy)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 35097802
2-[cyclopropyl-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]amino]propanoic acid
CID 122100687
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide (CID 92634189) is 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide is Cc1cc(C)nc(N2CCC(CC(=O)NCCOc3cccc(F)c3)CC2)n1.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide?
The InChIKey is UREWQYDHRDURNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-15-12-16(2)25-21(24-15)26-9-6-17(7-10-26)13-20(27)23-8-11-28-19-5-3-4-18(22)14-19/h3-5,12,14,17H,6-11,13H2,1-2H3,(H,23,27).
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide?
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide has a molecular weight of 386.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[2-(3-fluorophenoxy)ethyl]acetamide is sourced from PubChem (CID 92634189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).