N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide

C16H21N3O2 — CID 17271674

IUPACN-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H21N3O2/c1-13(20)17-15(12-14-6-4-3-5-7-14)16(21)19-10-8-18(2)9-11-19/h3-7,12H,8-11H2,1-2H3,(H,17,20)/b15-12-
InChIKeyPHQQGJXIXJLYTO-QINSGFPZSA-N
MW287.36 g/mol
LogP0.94
Rot. Bonds3

About N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide

N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide (PubChem CID 17271674) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
PubChem CID17271674
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H21N3O2/c1-13(20)17-15(12-14-6-4-3-5-7-14)16(21)19-10-8-18(2)9-11-19/h3-7,12H,8-11H2,1-2H3,(H,17,20)/b15-12-
InChIKeyPHQQGJXIXJLYTO-QINSGFPZSA-N
XLogP0.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 5442372
N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide
CID 39580719
N-[1-(4-hydroxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1355117
N-[(E)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5435556
N-[1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1354733
N-[(Z)-1-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 2100669
N-[(Z)-3-[4-[(Z)-2-benzamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 92982413
N-[(E)-3-(4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5337316
(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 155278050
N-[1-(2-acetamido-3-phenylprop-2-enoyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 76862313
(Z)-2-acetamido-N,N-dimethyl-3-phenylprop-2-enamide
CID 29278022
(E)-N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2295931

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide (CID 17271674) is N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide is CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCN(C)CC1.
What is the InChIKey of N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
The InChIKey is PHQQGJXIXJLYTO-QINSGFPZSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13(20)17-15(12-14-6-4-3-5-7-14)16(21)19-10-8-18(2)9-11-19/h3-7,12H,8-11H2,1-2H3,(H,17,20)/b15-12-.
What are the key properties of N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide?
N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide has a molecular weight of 287.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide is sourced from PubChem (CID 17271674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).