N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide

C21H24FN3O2 — CID 108950686

IUPACN-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCCc1ccccc1NC(=O)CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H24FN3O2/c1-2-16-7-3-5-9-18(16)23-20(26)15-21(27)25-13-11-24(12-14-25)19-10-6-4-8-17(19)22/h3-10H,2,11-15H2,1H3,(H,23,26)
InChIKeyIJPLBQJNLPMFIK-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.07
Rot. Bonds5

About N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide

N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108950686) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108950686
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
SMILESCCc1ccccc1NC(=O)CC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H24FN3O2/c1-2-16-7-3-5-9-18(16)23-20(26)15-21(27)25-13-11-24(12-14-25)19-10-6-4-8-17(19)22/h3-10H,2,11-15H2,1H3,(H,23,26)
InChIKeyIJPLBQJNLPMFIK-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950699
N-(2,3-dimethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950685
N-(2,4-difluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950727
N-(2-ethylphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950439
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
2-[2-ethoxy-4-[4-(2-fluorophenyl)piperazine-1-carbothioyl]phenoxy]-N-(2-ethylphenyl)acetamide
CID 126264894
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
N-(2-ethylphenyl)-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108950759
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414
N-(2,6-difluorophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950547

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide (CID 108950686) is N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide is CCc1ccccc1NC(=O)CC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is IJPLBQJNLPMFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-2-16-7-3-5-9-18(16)23-20(26)15-21(27)25-13-11-24(12-14-25)19-10-6-4-8-17(19)22/h3-10H,2,11-15H2,1H3,(H,23,26).
What are the key properties of N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 369.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108950686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).