N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

C20H24N4O3 — CID 38125978

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3oc(C)c(C)c3C#N)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-14-15(2)27-20(18(14)12-21)22-19(25)13-23-7-9-24(10-8-23)16-5-4-6-17(11-16)26-3/h4-6,11H,7-10,13H2,1-3H3,(H,22,25)
InChIKeyAARFCBFDSRNRTA-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.54
Rot. Bonds5

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 38125978) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID38125978
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)Nc3oc(C)c(C)c3C#N)CC2)c1
InChIInChI=1S/C20H24N4O3/c1-14-15(2)27-20(18(14)12-21)22-19(25)13-23-7-9-24(10-8-23)16-5-4-6-17(11-16)26-3/h4-6,11H,7-10,13H2,1-3H3,(H,22,25)
InChIKeyAARFCBFDSRNRTA-UHFFFAOYSA-N
XLogP2.54
TPSA81.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 46689396
N-(3-chloro-4-cyanophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698398
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 3212835
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(3-bromophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 2698418
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide
CID 39013390
N-(3-ethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592549
N-(2-acetylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592653
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 38126163

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (CID 38125978) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is COc1cccc(N2CCN(CC(=O)Nc3oc(C)c(C)c3C#N)CC2)c1.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is AARFCBFDSRNRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-15(2)27-20(18(14)12-21)22-19(25)13-23-7-9-24(10-8-23)16-5-4-6-17(11-16)26-3/h4-6,11H,7-10,13H2,1-3H3,(H,22,25).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 38125978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).