(Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C26H32N2O6 — CID 20841207

IUPAC(Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C22H28N2O2.C4H4O4/c1-26-18-22(25)24(20-10-6-3-7-11-20)21-13-16-23(17-14-21)15-12-19-8-4-2-5-9-19;5-3(6)1-2-4(7)8/h2-11,21H,12-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyYXYZWRXQLBKOJQ-BTJKTKAUSA-N
MW468.55 g/mol
LogP3.08
Rot. Bonds9

About (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

(Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 20841207) has the molecular formula C26H32N2O6 and a molecular weight of 468.55 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID20841207
Molecular FormulaC26H32N2O6
Molecular Weight468.55 g/mol
Exact Mass468.23
IUPAC Name(Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C22H28N2O2.C4H4O4/c1-26-18-22(25)24(20-10-6-3-7-11-20)21-13-16-23(17-14-21)15-12-19-8-4-2-5-9-19;5-3(6)1-2-4(7)8/h2-11,21H,12-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyYXYZWRXQLBKOJQ-BTJKTKAUSA-N
XLogP3.08
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 20841207) is (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is COCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is YXYZWRXQLBKOJQ-BTJKTKAUSA-N. The full InChI is InChI=1S/C22H28N2O2.C4H4O4/c1-26-18-22(25)24(20-10-6-3-7-11-20)21-13-16-23(17-14-21)15-12-19-8-4-2-5-9-19;5-3(6)1-2-4(7)8/h2-11,21H,12-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
(Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 468.55 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 20841207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).