N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide

C22H23FN2O2 — CID 5437800

IUPACN-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCC1CCN(C(=O)/C(=C\c2ccccc2F)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23FN2O2/c1-16-11-13-25(14-12-16)22(27)20(15-18-9-5-6-10-19(18)23)24-21(26)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,24,26)/b20-15+
InChIKeyKDUQLODBOPWRKI-HMMYKYKNSA-N
MW366.44 g/mol
LogP3.86
Rot. Bonds4

About N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide

N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 5437800) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID5437800
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCC1CCN(C(=O)/C(=C\c2ccccc2F)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23FN2O2/c1-16-11-13-25(14-12-16)22(27)20(15-18-9-5-6-10-19(18)23)24-21(26)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,24,26)/b20-15+
InChIKeyKDUQLODBOPWRKI-HMMYKYKNSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide 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

1-(4-Benzoyl-1-piperazinyl)-1-propanone
CID 4223812
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N,N'-dibenzoylpiperazine
CID 80185
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
CID 164946740
CID 164946740
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
N,N'-1,2-Ethanediylbisbenzamide
CID 69518
Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
(2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformamido)propanamide
CID 9948720

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 5437800) is N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide is CC1CCN(C(=O)/C(=C\c2ccccc2F)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is KDUQLODBOPWRKI-HMMYKYKNSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-16-11-13-25(14-12-16)22(27)20(15-18-9-5-6-10-19(18)23)24-21(26)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,24,26)/b20-15+.
What are the key properties of N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 366.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-fluorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5437800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).