N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C19H19FN4O — CID 671206

IUPACN-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN4O/c20-16-5-7-17(8-6-16)24-11-9-23(10-12-24)14-19(25)22-18-4-2-1-3-15(18)13-21/h1-8H,9-12,14H2,(H,22,25)
InChIKeyNEWWTUAVLFUDDO-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.46
Rot. Bonds4

About N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 671206) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID671206
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESN#Cc1ccccc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN4O/c20-16-5-7-17(8-6-16)24-11-9-23(10-12-24)14-19(25)22-18-4-2-1-3-15(18)13-21/h1-8H,9-12,14H2,(H,22,25)
InChIKeyNEWWTUAVLFUDDO-UHFFFAOYSA-N
XLogP2.46
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51302573
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932
N-[2-(cyanomethylsulfanyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8703950
N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268645
N-[2-(difluoromethylsulfonyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55464521
N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63281967
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5019099
N-(2-cyanophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978245
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide
CID 110651282
N-(4-fluoro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 50875792
N-[4-(cyanomethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 988170

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 671206) is N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is N#Cc1ccccc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is NEWWTUAVLFUDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-16-5-7-17(8-6-16)24-11-9-23(10-12-24)14-19(25)22-18-4-2-1-3-15(18)13-21/h1-8H,9-12,14H2,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 338.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 671206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).