N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

C21H32N4O2 — CID 8621596

IUPACN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H32N4O2/c1-3-11-22-20(26)17-23(2)21(27)18-25-15-13-24(14-16-25)12-7-10-19-8-5-4-6-9-19/h4-10H,3,11-18H2,1-2H3,(H,22,26)/b10-7+
InChIKeyQFXPUXJIDOPOIA-JXMROGBWSA-N
MW372.51 g/mol
LogP1.30
Rot. Bonds9

About N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide

N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 8621596) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID8621596
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)CN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H32N4O2/c1-3-11-22-20(26)17-23(2)21(27)18-25-15-13-24(14-16-25)12-7-10-19-8-5-4-6-9-19/h4-10H,3,11-18H2,1-2H3,(H,22,26)/b10-7+
InChIKeyQFXPUXJIDOPOIA-JXMROGBWSA-N
XLogP1.30
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544277
N-[2-(dimethylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108994619
N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8773380
N-methyl-N-[(4-methylphenyl)methyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8544482
N-methyl-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8597726
3-[[N-methyl-C-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111218370
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754167
(E)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenylprop-2-enamide
CID 7972275
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109016909
1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970257

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 8621596) is N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is CCCNC(=O)CN(C)C(=O)CN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is QFXPUXJIDOPOIA-JXMROGBWSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-11-22-20(26)17-23(2)21(27)18-25-15-13-24(14-16-25)12-7-10-19-8-5-4-6-9-19/h4-10H,3,11-18H2,1-2H3,(H,22,26)/b10-7+.
What are the key properties of N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 372.51 g/mol, XLogP of 1.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8621596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).