1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one

C15H27N3O2 — CID 114409663

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCOCC1=CCN(C(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,18-10-6-16-7-11-18)14(19)17-8-4-13(5-9-17)12-20-3/h4,16H,5-12H2,1-3H3
InChIKeyZNRVPRURDSKRMD-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.48
Rot. Bonds4

About 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one (PubChem CID 114409663) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one
PubChem CID114409663
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one
SMILESCOCC1=CCN(C(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C15H27N3O2/c1-15(2,18-10-6-16-7-11-18)14(19)17-8-4-13(5-9-17)12-20-3/h4,16H,5-12H2,1-3H3
InChIKeyZNRVPRURDSKRMD-UHFFFAOYSA-N
XLogP0.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one (CID 114409663) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one is COCC1=CCN(C(=O)C(C)(C)N2CCNCC2)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one?
The InChIKey is ZNRVPRURDSKRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,18-10-6-16-7-11-18)14(19)17-8-4-13(5-9-17)12-20-3/h4,16H,5-12H2,1-3H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one has a molecular weight of 281.40 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 114409663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).