4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide

C23H26N4O3 — CID 56509036

IUPAC4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C23H26N4O3/c1-17-4-3-5-21(16-17)25-23(30)27-14-12-26(13-15-27)22(29)11-8-19-6-9-20(10-7-19)24-18(2)28/h3-11,16H,12-15H2,1-2H3,(H,24,28)(H,25,30)/b11-8+
InChIKeyDVRNOFLMYDOOQK-DHZHZOJOSA-N
MW406.49 g/mol
LogP3.34
Rot. Bonds4

About 4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide

4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 56509036) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID56509036
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C23H26N4O3/c1-17-4-3-5-21(16-17)25-23(30)27-14-12-26(13-15-27)22(29)11-8-19-6-9-20(10-7-19)24-18(2)28/h3-11,16H,12-15H2,1-2H3,(H,24,28)(H,25,30)/b11-8+
InChIKeyDVRNOFLMYDOOQK-DHZHZOJOSA-N
XLogP3.34
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56510594
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079
N-[4-[(E)-3-(4-methyl-1,4-diazepan-1-yl)-3-oxoprop-1-enyl]phenyl]acetamide
CID 78839205
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
N-(3-chloro-4-fluorophenyl)-4-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperazine-1-carboxamide
CID 44529380
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
N-(3-methylphenyl)acetamide
CID 10843
N-(4-fluorophenyl)-4-[(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]piperazine-1-carboxamide
CID 37442444
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-[4-[(E)-3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 31265904
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide (CID 56509036) is 4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide is CC(=O)Nc1ccc(/C=C/C(=O)N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is DVRNOFLMYDOOQK-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-4-3-5-21(16-17)25-23(30)27-14-12-26(13-15-27)22(29)11-8-19-6-9-20(10-7-19)24-18(2)28/h3-11,16H,12-15H2,1-2H3,(H,24,28)(H,25,30)/b11-8+.
What are the key properties of 4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide?
4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-acetamidophenyl)prop-2-enoyl]-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56509036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).