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

C20H19FN4O2 — CID 108949553

IUPACN-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
SMILESN#Cc1ccc(NC(=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H19FN4O2/c21-16-3-7-18(8-4-16)24-9-11-25(12-10-24)20(27)13-19(26)23-17-5-1-15(14-22)2-6-17/h1-8H,9-13H2,(H,23,26)
InChIKeyXIWLBAQXQAAVGB-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.37
Rot. Bonds4

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

N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide (PubChem CID 108949553) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
PubChem CID108949553
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
SMILESN#Cc1ccc(NC(=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H19FN4O2/c21-16-3-7-18(8-4-16)24-9-11-25(12-10-24)20(27)13-19(26)23-17-5-1-15(14-22)2-6-17/h1-8H,9-13H2,(H,23,26)
InChIKeyXIWLBAQXQAAVGB-UHFFFAOYSA-N
XLogP2.37
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-5-oxopentanamide
CID 7329126
3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108944941
N-(2,6-difluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949556
N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950946
4-[4-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,4-diazepan-1-yl]benzonitrile
CID 55831676
2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010682
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
N-(4-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113135063
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanenitrile
CID 82121619
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The IUPAC name of N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide (CID 108949553) is N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide is N#Cc1ccc(NC(=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
The InChIKey is XIWLBAQXQAAVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-3-7-18(8-4-16)24-9-11-25(12-10-24)20(27)13-19(26)23-17-5-1-15(14-22)2-6-17/h1-8H,9-13H2,(H,23,26).
What are the key properties of N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide?
N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide has a molecular weight of 366.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide is sourced from PubChem (CID 108949553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).