N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide

C22H24N2O2 — CID 39580719

IUPACN-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O2/c1-17(25)23-21(16-18-8-4-2-5-9-18)22(26)24-14-12-20(13-15-24)19-10-6-3-7-11-19/h2-11,16,20H,12-15H2,1H3,(H,23,25)/b21-16-
InChIKeyCCQJKGVBRGUBGE-PGMHBOJBSA-N
MW348.45 g/mol
LogP3.57
Rot. Bonds4

About N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide

N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide (PubChem CID 39580719) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide
PubChem CID39580719
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O2/c1-17(25)23-21(16-18-8-4-2-5-9-18)22(26)24-14-12-20(13-15-24)19-10-6-3-7-11-19/h2-11,16,20H,12-15H2,1H3,(H,23,25)/b21-16-
InChIKeyCCQJKGVBRGUBGE-PGMHBOJBSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(4-methylpiperazin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 17271674
N-[3-(4-methylpiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 680553
N-[1-(2-acetamido-3-phenylprop-2-enoyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 76862313
(2R)-1-[(Z)-2-acetamido-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 27514994
N-[3-(4-hydroxypiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 155011696
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
(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
N-[(E)-1-[4-(dimethylamino)phenyl]-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 6385621
2-acetamido-N-cycloheptyl-3-phenylprop-2-enamide
CID 3677645
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide (CID 39580719) is N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide is CC(=O)N/C(=C\c1ccccc1)C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide?
The InChIKey is CCQJKGVBRGUBGE-PGMHBOJBSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17(25)23-21(16-18-8-4-2-5-9-18)22(26)24-14-12-20(13-15-24)19-10-6-3-7-11-19/h2-11,16,20H,12-15H2,1H3,(H,23,25)/b21-16-.
What are the key properties of N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide?
N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide has a molecular weight of 348.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-oxo-1-phenyl-3-(4-phenylpiperidin-1-yl)prop-1-en-2-yl]acetamide is sourced from PubChem (CID 39580719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).