N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide

C24H27ClN4O2 — CID 55565192

IUPACN-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)(C(=O)N1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C24H27ClN4O2/c1-24(2,19-6-4-3-5-7-19)23(31)29-14-12-28(13-15-29)11-10-22(30)27-20-9-8-18(17-26)21(25)16-20/h3-9,16H,10-15H2,1-2H3,(H,27,30)
InChIKeyBEUAHVYHIIRKIW-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.66
Rot. Bonds6

About N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide

N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 55565192) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
PubChem CID55565192
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)(C(=O)N1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C24H27ClN4O2/c1-24(2,19-6-4-3-5-7-19)23(31)29-14-12-28(13-15-29)11-10-22(30)27-20-9-8-18(17-26)21(25)16-20/h3-9,16H,10-15H2,1-2H3,(H,27,30)
InChIKeyBEUAHVYHIIRKIW-UHFFFAOYSA-N
XLogP3.66
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 37405535
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(3-chloro-4-cyanophenyl)-3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]propanamide
CID 87017025
N-(3-chloro-4-cyanophenyl)-3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55625654
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9104928
N-(3-chloro-4-cyanophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 55482360
1-[3-(3-chloro-4-cyanoanilino)-3-oxopropyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 56525653
N-(3-chloro-4-cyanophenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35207918
N-(4-methoxyphenyl)-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]acetamide
CID 36919810
1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110931592
N-(3-chloro-4-cyanophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 3539401
3-(4-acetylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 28793141

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide (CID 55565192) is N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide is CC(C)(C(=O)N1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is BEUAHVYHIIRKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-24(2,19-6-4-3-5-7-19)23(31)29-14-12-28(13-15-29)11-10-22(30)27-20-9-8-18(17-26)21(25)16-20/h3-9,16H,10-15H2,1-2H3,(H,27,30).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 438.96 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55565192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).