(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide

C24H30N2O2 — CID 131896747

IUPAC(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide
SMILESCO[C@H](C(=O)NCC1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-28-23(22-12-6-3-7-13-22)24(27)25-19-21-14-17-26(18-15-21)16-8-11-20-9-4-2-5-10-20/h2-13,21,23H,14-19H2,1H3,(H,25,27)/b11-8+/t23-/m0/s1
InChIKeyPNCRBVQUWBFZSF-HDFUYHJRSA-N
MW378.52 g/mol
LogP3.92
Rot. Bonds8

About (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide

(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide (PubChem CID 131896747) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide
PubChem CID131896747
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide
SMILESCO[C@H](C(=O)NCC1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O2/c1-28-23(22-12-6-3-7-13-22)24(27)25-19-21-14-17-26(18-15-21)16-8-11-20-9-4-2-5-10-20/h2-13,21,23H,14-19H2,1H3,(H,25,27)/b11-8+/t23-/m0/s1
InChIKeyPNCRBVQUWBFZSF-HDFUYHJRSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

(2R)-2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 97062875
2-methoxy-2-phenyl-N-(piperidin-4-ylmethyl)acetamide
CID 62098228
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
(2R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methoxy-2-phenylacetamide
CID 110021427
3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
CID 95190416
N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide
CID 64929493
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126442087
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide (CID 131896747) is (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide is CO[C@H](C(=O)NCC1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is PNCRBVQUWBFZSF-HDFUYHJRSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-23(22-12-6-3-7-13-22)24(27)25-19-21-14-17-26(18-15-21)16-8-11-20-9-4-2-5-10-20/h2-13,21,23H,14-19H2,1H3,(H,25,27)/b11-8+/t23-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide?
(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 131896747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).