N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide

C20H23N3O2S — CID 18129572

IUPACN-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1
InChIInChI=1S/C20H23N3O2S/c1-16(24)21-19-10-9-18(26-19)20(25)23-14-12-22(13-15-23)11-5-8-17-6-3-2-4-7-17/h2-10H,11-15H2,1H3,(H,21,24)/b8-5+
InChIKeyZOKBXVMANXLGRZ-VMPITWQZSA-N
MW369.49 g/mol
LogP3.18
Rot. Bonds5

About N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide

N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide (PubChem CID 18129572) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide
PubChem CID18129572
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1
InChIInChI=1S/C20H23N3O2S/c1-16(24)21-19-10-9-18(26-19)20(25)23-14-12-22(13-15-23)11-5-8-17-6-3-2-4-7-17/h2-10H,11-15H2,1H3,(H,21,24)/b8-5+
InChIKeyZOKBXVMANXLGRZ-VMPITWQZSA-N
XLogP3.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 108990296
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
N-[5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]thiophen-2-yl]acetamide
CID 31748019
N-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]phenyl]acetamide
CID 18104715
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
[3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6103975
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
(3-methylthiophen-2-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 51143710
(1-methylpyrrol-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 110762690

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide?
The IUPAC name of N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide (CID 18129572) is N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1.
What is the InChIKey of N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide?
The InChIKey is ZOKBXVMANXLGRZ-VMPITWQZSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-16(24)21-19-10-9-18(26-19)20(25)23-14-12-22(13-15-23)11-5-8-17-6-3-2-4-7-17/h2-10H,11-15H2,1H3,(H,21,24)/b8-5+.
What are the key properties of N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide?
N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]thiophen-2-yl]acetamide is sourced from PubChem (CID 18129572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).