(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide

C23H28N2O2 — CID 127049072

IUPAC(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1O)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c26-22-9-5-4-8-21(22)10-11-23(27)24-15-12-19-13-16-25(17-14-19)18-20-6-2-1-3-7-20/h1-11,19,26H,12-18H2,(H,24,27)/b11-10+
InChIKeyYAWVNBSVSGFOGD-ZHACJKMWSA-N
MW364.49 g/mol
LogP3.82
Rot. Bonds7

About (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide

(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide (PubChem CID 127049072) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide
PubChem CID127049072
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1O)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c26-22-9-5-4-8-21(22)10-11-23(27)24-15-12-19-13-16-25(17-14-19)18-20-6-2-1-3-7-20/h1-11,19,26H,12-18H2,(H,24,27)/b11-10+
InChIKeyYAWVNBSVSGFOGD-ZHACJKMWSA-N
XLogP3.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
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 (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide (CID 127049072) is (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide is O=C(/C=C/c1ccccc1O)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide?
The InChIKey is YAWVNBSVSGFOGD-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22-9-5-4-8-21(22)10-11-23(27)24-15-12-19-13-16-25(17-14-19)18-20-6-2-1-3-7-20/h1-11,19,26H,12-18H2,(H,24,27)/b11-10+.
What are the key properties of (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide?
(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide has a molecular weight of 364.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 127049072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).