[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone

C16H28N2O2 — CID 114409780

IUPAC[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CC=C(COC)CC2)CCCNC1
InChIInChI=1S/C16H28N2O2/c1-3-7-16(8-4-9-17-13-16)15(19)18-10-5-14(6-11-18)12-20-2/h5,17H,3-4,6-13H2,1-2H3
InChIKeyOKWREZYSBIFISA-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.96
Rot. Bonds5

About [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone

[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone (PubChem CID 114409780) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone
PubChem CID114409780
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)N2CC=C(COC)CC2)CCCNC1
InChIInChI=1S/C16H28N2O2/c1-3-7-16(8-4-9-17-13-16)15(19)18-10-5-14(6-11-18)12-20-2/h5,17H,3-4,6-13H2,1-2H3
InChIKeyOKWREZYSBIFISA-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(aminomethyl)cyclohexyl]-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114409734
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981333
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
CID 55164111
(4-ethylpiperazin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 55177029
(4,4-diethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63163762
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
(3-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63130056
(3-hydroxy-3-methylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 103355905
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
(3-propylpiperidin-3-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743759
(2,2-dimethylpyrrolidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63217718

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone (CID 114409780) is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)N2CC=C(COC)CC2)CCCNC1.
What is the InChIKey of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone?
The InChIKey is OKWREZYSBIFISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-7-16(8-4-9-17-13-16)15(19)18-10-5-14(6-11-18)12-20-2/h5,17H,3-4,6-13H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone?
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone has a molecular weight of 280.41 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 114409780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).