1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone

C21H30N2O — CID 50978475

IUPAC1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1C1=CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C21H30N2O/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/h2-4,9-10,12,21H,5-8,11,13-17H2,1H3
InChIKeyQIFDKOFUEIJTHG-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.65
Rot. Bonds5

About 1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone

1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone (PubChem CID 50978475) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
PubChem CID50978475
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1C1=CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C21H30N2O/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/h2-4,9-10,12,21H,5-8,11,13-17H2,1H3
InChIKeyQIFDKOFUEIJTHG-UHFFFAOYSA-N
XLogP3.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
CID 95141511
1-[(2R)-2-[1-[(E)-3-phenylprop-2-enyl]-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
CID 95132641
1-[2-[1-(2-ethylsulfanylethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone
CID 50973903
2-[5-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 95230024
1-[(2S)-2-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 166545183
1-[(1R,5S)-3-(3-phenylpropyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 133134564
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
(2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone
CID 50980578
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone (CID 50978475) is 1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCCC1C1=CCCN(CCCc2ccccc2)C1.
What is the InChIKey of 1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
The InChIKey is QIFDKOFUEIJTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/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/h2-4,9-10,12,21H,5-8,11,13-17H2,1H3.
What are the key properties of 1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone?
1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone has a molecular weight of 326.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 50978475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).