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

C16H21FN2O — CID 16671888

IUPAC2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O/c1-2-9-18-16(20)12-19-10-7-14(8-11-19)13-3-5-15(17)6-4-13/h2-6,14H,1,7-12H2,(H,18,20)
InChIKeyGRPHBWSZSSPKLV-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.31
Rot. Bonds5

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

2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 16671888) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID16671888
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O/c1-2-9-18-16(20)12-19-10-7-14(8-11-19)13-3-5-15(17)6-4-13/h2-6,14H,1,7-12H2,(H,18,20)
InChIKeyGRPHBWSZSSPKLV-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986
2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 51103994
3-(4-fluorophenyl)-N-prop-2-enylazepane-1-carboxamide
CID 90608883
2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide
CID 91829203
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
CID 97061567
2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 16674603
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 172892735
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152
N-[(4-fluorophenyl)methyl]-5-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 30869666
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335
N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8719101
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-oxo-1H-pyridin-4-yl)piperidin-1-yl]acetamide
CID 138384759

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide (CID 16671888) is 2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is GRPHBWSZSSPKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-2-9-18-16(20)12-19-10-7-14(8-11-19)13-3-5-15(17)6-4-13/h2-6,14H,1,7-12H2,(H,18,20).
What are the key properties of 2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 276.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 16671888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).