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

C14H18FN3O — CID 9204749

IUPAC(E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
SMILESCN1CCN(NC(=O)/C=C/c2cccc(F)c2)CC1
InChIInChI=1S/C14H18FN3O/c1-17-7-9-18(10-8-17)16-14(19)6-5-12-3-2-4-13(15)11-12/h2-6,11H,7-10H2,1H3,(H,16,19)/b6-5+
InChIKeyZKDQNPPBFSRWAS-AATRIKPKSA-N
MW263.32 g/mol
LogP1.12
Rot. Bonds3

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

(E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide (PubChem CID 9204749) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
PubChem CID9204749
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name(E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
SMILESCN1CCN(NC(=O)/C=C/c2cccc(F)c2)CC1
InChIInChI=1S/C14H18FN3O/c1-17-7-9-18(10-8-17)16-14(19)6-5-12-3-2-4-13(15)11-12/h2-6,11H,7-10H2,1H3,(H,16,19)/b6-5+
InChIKeyZKDQNPPBFSRWAS-AATRIKPKSA-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'}

Analyze (E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-bromophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 9205098
3-(3,4-dichlorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 3403410
(E)-3-(4-ethylphenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 9205820
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
(2S,3R)-2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 93302646
(E)-3-(2,3-dichlorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 9205447
(E)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(3-fluorophenyl)prop-2-enamide
CID 9293770
(E)-N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8779107
(E)-3-(3-fluorophenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 9330259
(E)-3-(3-bromophenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide
CID 9205097
(E)-N-(4-methylpiperazin-4-ium-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 9204673
N-cyano-3-(3-fluorophenyl)prop-2-enamide
CID 79193644

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide (CID 9204749) is (E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide is CN1CCN(NC(=O)/C=C/c2cccc(F)c2)CC1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
The InChIKey is ZKDQNPPBFSRWAS-AATRIKPKSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-17-7-9-18(10-8-17)16-14(19)6-5-12-3-2-4-13(15)11-12/h2-6,11H,7-10H2,1H3,(H,16,19)/b6-5+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide?
(E)-3-(3-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 (E)-3-(3-fluorophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide is sourced from PubChem (CID 9204749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).