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

C22H25N3O3 — CID 1041235

IUPACN-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C\c1ccccc1)C(=O)N1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O3/c26-16-15-24-11-13-25(14-12-24)22(28)20(17-18-7-3-1-4-8-18)23-21(27)19-9-5-2-6-10-19/h1-10,17,26H,11-16H2,(H,23,27)/b20-17-
InChIKeyQALKLVOMJHWTDJ-JZJYNLBNSA-N
MW379.46 g/mol
LogP1.59
Rot. Bonds6

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

N-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 1041235) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID1041235
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(N/C(=C\c1ccccc1)C(=O)N1CCN(CCO)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O3/c26-16-15-24-11-13-25(14-12-24)22(28)20(17-18-7-3-1-4-8-18)23-21(27)19-9-5-2-6-10-19/h1-10,17,26H,11-16H2,(H,23,27)/b20-17-
InChIKeyQALKLVOMJHWTDJ-JZJYNLBNSA-N
XLogP1.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 1041235) is N-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is O=C(N/C(=C\c1ccccc1)C(=O)N1CCN(CCO)CC1)c1ccccc1.
What is the InChIKey of N-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is QALKLVOMJHWTDJ-JZJYNLBNSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-16-15-24-11-13-25(14-12-24)22(28)20(17-18-7-3-1-4-8-18)23-21(27)19-9-5-2-6-10-19/h1-10,17,26H,11-16H2,(H,23,27)/b20-17-.
What are the key properties of N-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 1041235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).