(E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide

C23H28N2O — CID 10472960

IUPAC(E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide
SMILESC/C=C/C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h2-13,22H,14-19H2,1H3/b9-2+
InChIKeyVDYXGPCGBKLRDA-XNWCZRBMSA-N
MW348.49 g/mol
LogP4.30
Rot. Bonds6

About (E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide

(E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide (PubChem CID 10472960) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide
PubChem CID10472960
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide
SMILESC/C=C/C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h2-13,22H,14-19H2,1H3/b9-2+
InChIKeyVDYXGPCGBKLRDA-XNWCZRBMSA-N
XLogP4.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide?
The IUPAC name of (E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide (CID 10472960) is (E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide.
What is the SMILES notation for (E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide?
The canonical SMILES for (E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide is C/C=C/C(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide?
The InChIKey is VDYXGPCGBKLRDA-XNWCZRBMSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h2-13,22H,14-19H2,1H3/b9-2+.
What are the key properties of (E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide?
(E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide has a molecular weight of 348.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide is sourced from PubChem (CID 10472960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).