1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone

C21H28N2O — CID 95132641

IUPAC1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1C1=CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C21H28N2O/c1-18(24)23-16-6-5-13-21(23)20-12-8-15-22(17-20)14-7-11-19-9-3-2-4-10-19/h2-4,7,9-12,21H,5-6,8,13-17H2,1H3/b11-7+/t21-/m1/s1
InChIKeyOPGZCNQBLNDYPE-FTUXVVSKSA-N
MW324.47 g/mol
LogP3.73
Rot. Bonds4

About 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone

1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone (PubChem CID 95132641) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
PubChem CID95132641
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1C1=CCCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C21H28N2O/c1-18(24)23-16-6-5-13-21(23)20-12-8-15-22(17-20)14-7-11-19-9-3-2-4-10-19/h2-4,7,9-12,21H,5-6,8,13-17H2,1H3/b11-7+/t21-/m1/s1
InChIKeyOPGZCNQBLNDYPE-FTUXVVSKSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2R)-2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
CID 95141511
2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 95230024
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
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
tert-butyl 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 110414432
tert-butyl (2S)-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate
CID 60615861
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone (CID 95132641) is 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@@H]1C1=CCCN(C/C=C/c2ccccc2)C1.
What is the InChIKey of 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
The InChIKey is OPGZCNQBLNDYPE-FTUXVVSKSA-N. The full InChI is InChI=1S/C21H28N2O/c1-18(24)23-16-6-5-13-21(23)20-12-8-15-22(17-20)14-7-11-19-9-3-2-4-10-19/h2-4,7,9-12,21H,5-6,8,13-17H2,1H3/b11-7+/t21-/m1/s1.
What are the key properties of 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 324.47 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95132641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).