N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide

C20H24N4OS — CID 8582805

IUPACN-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)Nc3sccc3C#N)CC2)c1C
InChIInChI=1S/C20H24N4OS/c1-15-4-3-5-18(16(15)2)24-11-9-23(10-12-24)8-6-19(25)22-20-17(14-21)7-13-26-20/h3-5,7,13H,6,8-12H2,1-2H3,(H,22,25)
InChIKeySTOVBKQJKHGKFS-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.39
Rot. Bonds5

About N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide

N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (PubChem CID 8582805) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
PubChem CID8582805
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
SMILESCc1cccc(N2CCN(CCC(=O)Nc3sccc3C#N)CC2)c1C
InChIInChI=1S/C20H24N4OS/c1-15-4-3-5-18(16(15)2)24-11-9-23(10-12-24)8-6-19(25)22-20-17(14-21)7-13-26-20/h3-5,7,13H,6,8-12H2,1-2H3,(H,22,25)
InChIKeySTOVBKQJKHGKFS-UHFFFAOYSA-N
XLogP3.39
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 2473904
N-(3-cyanothiophen-2-yl)-3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 18283787
3-(4-acetylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 8904188
3-(4-benzylpiperazin-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 43001145
3-(4-acetyl-1,4-diazepan-1-yl)-N-(3-cyanothiophen-2-yl)propanamide
CID 34927459
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
CID 63570945
N-cyclopropyl-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 34207696
N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6363865
N-(3-cyanothiophen-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 37375440
N-(3-cyanothiophen-2-yl)-3-[3-(methylamino)pyrrolidin-1-yl]propanamide
CID 115300684
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781
N-(3-cyanothiophen-2-yl)-3-[3-(methylaminomethyl)piperidin-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide (CID 8582805) is N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is Cc1cccc(N2CCN(CCC(=O)Nc3sccc3C#N)CC2)c1C.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
The InChIKey is STOVBKQJKHGKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-4-3-5-18(16(15)2)24-11-9-23(10-12-24)8-6-19(25)22-20-17(14-21)7-13-26-20/h3-5,7,13H,6,8-12H2,1-2H3,(H,22,25).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide?
N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide has a molecular weight of 368.51 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 8582805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).