N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide

C23H26N2O3 — CID 6504597

IUPACN-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-17-12-14-25(15-13-17)23(27)21(16-18-8-10-20(28-2)11-9-18)24-22(26)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,24,26)/b21-16-
InChIKeyRQSLBGLHHUUCFS-PGMHBOJBSA-N
MW378.47 g/mol
LogP3.72
Rot. Bonds5

About N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 6504597) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID6504597
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
SMILESCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-17-12-14-25(15-13-17)23(27)21(16-18-8-10-20(28-2)11-9-18)24-22(26)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,24,26)/b21-16-
InChIKeyRQSLBGLHHUUCFS-PGMHBOJBSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.72
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide (CID 6504597) is N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide is COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is RQSLBGLHHUUCFS-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-17-12-14-25(15-13-17)23(27)21(16-18-8-10-20(28-2)11-9-18)24-22(26)19-6-4-3-5-7-19/h3-11,16-17H,12-15H2,1-2H3,(H,24,26)/b21-16-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 378.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 6504597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).