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

C22H23FN4O2 — CID 113134705

IUPACN-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1C#N
InChIInChI=1S/C22H23FN4O2/c1-17(28)27(21-5-3-2-4-18(21)16-24)11-10-22(29)26-14-12-25(13-15-26)20-8-6-19(23)7-9-20/h2-9H,10-15H2,1H3
InChIKeyZWBYVDFTZYFCDT-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.79
Rot. Bonds5

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

N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 113134705) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID113134705
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC NameN-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1C#N
InChIInChI=1S/C22H23FN4O2/c1-17(28)27(21-5-3-2-4-18(21)16-24)11-10-22(29)26-14-12-25(13-15-26)20-8-6-19(23)7-9-20/h2-9H,10-15H2,1H3
InChIKeyZWBYVDFTZYFCDT-UHFFFAOYSA-N
XLogP2.79
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113134658
N-(4-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113135063
N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113125379
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(1-phenylethyl)acetamide
CID 113118944
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanenitrile
CID 82121619
N-(4-chloro-2-methylphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113127859
N-(2-fluorophenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126692
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110853267
N-(5-chloro-2-methylphenyl)-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113127710
3-[benzyl(propan-2-yl)amino]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027223
2-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]benzonitrile
CID 51197855
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide (CID 113134705) is N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is ZWBYVDFTZYFCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-17(28)27(21-5-3-2-4-18(21)16-24)11-10-22(29)26-14-12-25(13-15-26)20-8-6-19(23)7-9-20/h2-9H,10-15H2,1H3.
What are the key properties of N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 113134705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).