N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide

C15H20FN3O — CID 8711083

IUPACN-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
SMILESC=CCN1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H20FN3O/c1-2-6-18-7-9-19(10-8-18)12-15(20)17-14-5-3-4-13(16)11-14/h2-5,11H,1,6-10,12H2,(H,17,20)
InChIKeyPVHAWRPMBGUMGM-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.57
Rot. Bonds5

About N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide

N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide (PubChem CID 8711083) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
PubChem CID8711083
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
SMILESC=CCN1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H20FN3O/c1-2-6-18-7-9-19(10-8-18)12-15(20)17-14-5-3-4-13(16)11-14/h2-5,11H,1,6-10,12H2,(H,17,20)
InChIKeyPVHAWRPMBGUMGM-UHFFFAOYSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.57
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-(3-fluorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8690682
N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8719101
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020095
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(3-fluorophenyl)acetamide
CID 43252639
N-(3-fluorophenyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824691
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
N-(3-fluorophenyl)-2-[4-[2-(2-fluorophenyl)sulfanylethyl]piperazin-1-yl]acetamide
CID 8711213

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide (CID 8711083) is N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide is C=CCN1CCN(CC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide?
The InChIKey is PVHAWRPMBGUMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-2-6-18-7-9-19(10-8-18)12-15(20)17-14-5-3-4-13(16)11-14/h2-5,11H,1,6-10,12H2,(H,17,20).
What are the key properties of N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide?
N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide has a molecular weight of 277.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8711083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).