N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

C20H21FN4O — CID 51302573

IUPACN-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccccc1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O/c21-17-5-7-18(8-6-17)25-13-11-24(12-14-25)10-9-20(26)23-19-4-2-1-3-16(19)15-22/h1-8H,9-14H2,(H,23,26)
InChIKeyKHKHLUFRZCAOBY-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.85
Rot. Bonds5

About N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide

N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (PubChem CID 51302573) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
PubChem CID51302573
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
SMILESN#Cc1ccccc1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H21FN4O/c21-17-5-7-18(8-6-17)25-13-11-24(12-14-25)10-9-20(26)23-19-4-2-1-3-16(19)15-22/h1-8H,9-14H2,(H,23,26)
InChIKeyKHKHLUFRZCAOBY-UHFFFAOYSA-N
XLogP2.85
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 671206
N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268645
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55482155
N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027339
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
N-(2-cyanophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978245
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 8703871
N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide
CID 110651282
N-(2-cyanophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 670932
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-cyanophenyl)oxamide
CID 42389800
N-(2,6-dichlorophenyl)-3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019613

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide (CID 51302573) is N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is N#Cc1ccccc1NC(=O)CCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
The InChIKey is KHKHLUFRZCAOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c21-17-5-7-18(8-6-17)25-13-11-24(12-14-25)10-9-20(26)23-19-4-2-1-3-16(19)15-22/h1-8H,9-14H2,(H,23,26).
What are the key properties of N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide?
N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide has a molecular weight of 352.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51302573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).