2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide

C16H21FN2O2 — CID 91829203

IUPAC2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN2O2/c1-2-8-18-16(20)12-19-9-6-14(7-10-19)21-15-5-3-4-13(17)11-15/h2-5,11,14H,1,6-10,12H2,(H,18,20)
InChIKeyJUMWOXUSWYHTHW-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.97
Rot. Bonds6

About 2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide

2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 91829203) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID91829203
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN2O2/c1-2-8-18-16(20)12-19-9-6-14(7-10-19)21-15-5-3-4-13(17)11-15/h2-5,11,14H,1,6-10,12H2,(H,18,20)
InChIKeyJUMWOXUSWYHTHW-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride
CID 171667424
2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16671888
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxyacetic acid
CID 63903003
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908348
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986
N,N-dimethyl-6-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 126824333
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
1-[2-[2-(3-fluorophenoxy)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119905101
2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 51103994
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide (CID 91829203) is 2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is JUMWOXUSWYHTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-2-8-18-16(20)12-19-9-6-14(7-10-19)21-15-5-3-4-13(17)11-15/h2-5,11,14H,1,6-10,12H2,(H,18,20).
What are the key properties of 2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 292.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 91829203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).