N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C27H27N3O3 — CID 6959314

IUPACN-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCOc1ccccc1N1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C27H27N3O3/c1-33-25-15-9-8-14-24(25)29-16-18-30(19-17-29)27(32)23(20-21-10-4-2-5-11-21)28-26(31)22-12-6-3-7-13-22/h2-15,20H,16-19H2,1H3,(H,28,31)/b23-20-
InChIKeyNSDPNJBDLLIMHE-ATJXCDBQSA-N
MW441.53 g/mol
LogP3.81
Rot. Bonds6

About N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 6959314) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID6959314
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCOc1ccccc1N1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C27H27N3O3/c1-33-25-15-9-8-14-24(25)29-16-18-30(19-17-29)27(32)23(20-21-10-4-2-5-11-21)28-26(31)22-12-6-3-7-13-22/h2-15,20H,16-19H2,1H3,(H,28,31)/b23-20-
InChIKeyNSDPNJBDLLIMHE-ATJXCDBQSA-N
XLogP3.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889437
N-[1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 3090292
N-[3-(4-methylpiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 680553
N-[3-(4-hydroxypiperidin-1-yl)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 155011696
N-[1-(4-hydroxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1355117
N-[(E)-3-(4-methylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5337316
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-[(E)-3-[4-[(E)-2-acetamido-3-phenylprop-2-enoyl]piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 5442372
ethyl 4-[(Z)-2-benzamido-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 92912902
N-[(Z)-3-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 155011691

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 6959314) is N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is COc1ccccc1N1CCN(C(=O)/C(=C/c2ccccc2)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is NSDPNJBDLLIMHE-ATJXCDBQSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-33-25-15-9-8-14-24(25)29-16-18-30(19-17-29)27(32)23(20-21-10-4-2-5-11-21)28-26(31)22-12-6-3-7-13-22/h2-15,20H,16-19H2,1H3,(H,28,31)/b23-20-.
What are the key properties of N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 441.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 6959314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).