3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide

C14H18FN3O — CID 3368125

IUPAC3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
SMILESCN1CCN(NC(=O)C=Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN3O/c1-17-8-10-18(11-9-17)16-14(19)7-4-12-2-5-13(15)6-3-12/h2-7H,8-11H2,1H3,(H,16,19)
InChIKeyUZVXNSZCGNJHIV-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.12
Rot. Bonds3

About 3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide

3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide (PubChem CID 3368125) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
PubChem CID3368125
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
SMILESCN1CCN(NC(=O)C=Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN3O/c1-17-8-10-18(11-9-17)16-14(19)7-4-12-2-5-13(15)6-3-12/h2-7H,8-11H2,1H3,(H,16,19)
InChIKeyUZVXNSZCGNJHIV-UHFFFAOYSA-N
XLogP1.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-1-(4-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 835862
(2E)-3-[4-(tert-butyl)phenyl]-N-(4-methylpiperazinyl)prop-2-enamide
CID 1530073
(2E)-3-(3-chlorophenyl)-N-(4-methylpiperazinyl)prop-2-enamide
CID 6113154
(2E)-3-(4-methylphenyl)-N-(4-methylpiperazinyl)prop-2-enamide
CID 5851898
(2E)-3-(4-bromophenyl)-N-(4-methylpiperazinyl)prop-2-enamide
CID 6023602
1-Ethyl-4-[3-(4-fluorophenyl)acryloyl]piperazine
CID 897639
3-fluoro-N-(4-methylpiperazin-1-yl)benzamide
CID 903470
Cinnamamide, N-piperidino-
CID 6072842
1-Cinnamoylpiperazine
CID 5702792
4-fluoro-N-(4-methyl-1-piperazinyl)benzamide
CID 1221964
(E)-3-phenyl-N'-propylprop-2-enehydrazide
CID 155529994
2-fluoro-N-(4-methyl-1-piperazinyl)benzamide
CID 1221192

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide (CID 3368125) is 3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide is CN1CCN(NC(=O)C=Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
The InChIKey is UZVXNSZCGNJHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-17-8-10-18(11-9-17)16-14(19)7-4-12-2-5-13(15)6-3-12/h2-7H,8-11H2,1H3,(H,16,19).
What are the key properties of 3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide has a molecular weight of 263.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide is sourced from PubChem (CID 3368125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).