(E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide

C23H28N2O — CID 6445539

IUPAC(E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide
SMILESCN1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C23H28N2O/c1-25-18-8-7-12-21(25)16-15-20-11-5-6-13-22(20)24-23(26)17-14-19-9-3-2-4-10-19/h2-6,9-11,13-14,17,21H,7-8,12,15-16,18H2,1H3,(H,24,26)/b17-14+/t21-/m0/s1
InChIKeyUXIPFQUBOVWAQW-UEBLJOKOSA-N
MW348.49 g/mol
LogP4.76
Rot. Bonds6

About (E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide

(E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 6445539) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide
PubChem CID6445539
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide
SMILESCN1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C23H28N2O/c1-25-18-8-7-12-21(25)16-15-20-11-5-6-13-22(20)24-23(26)17-14-19-9-3-2-4-10-19/h2-6,9-11,13-14,17,21H,7-8,12,15-16,18H2,1H3,(H,24,26)/b17-14+/t21-/m0/s1
InChIKeyUXIPFQUBOVWAQW-UEBLJOKOSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
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-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide (CID 6445539) is (E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide is CN1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is UXIPFQUBOVWAQW-UEBLJOKOSA-N. The full InChI is InChI=1S/C23H28N2O/c1-25-18-8-7-12-21(25)16-15-20-11-5-6-13-22(20)24-23(26)17-14-19-9-3-2-4-10-19/h2-6,9-11,13-14,17,21H,7-8,12,15-16,18H2,1H3,(H,24,26)/b17-14+/t21-/m0/s1.
What are the key properties of (E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide?
(E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 348.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 6445539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).