1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone

C14H24N2O3 — CID 62064231

IUPAC1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H24N2O3/c1-18-11-14(17)16-7-5-12(6-8-16)15-10-13-4-2-3-9-19-13/h3,9,12-13,15H,2,4-8,10-11H2,1H3
InChIKeyXEOAWJQCTLFMEK-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.91
Rot. Bonds5

About 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone

1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone (PubChem CID 62064231) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone
PubChem CID62064231
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H24N2O3/c1-18-11-14(17)16-7-5-12(6-8-16)15-10-13-4-2-3-9-19-13/h3,9,12-13,15H,2,4-8,10-11H2,1H3
InChIKeyXEOAWJQCTLFMEK-UHFFFAOYSA-N
XLogP0.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone (CID 62064231) is 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is XEOAWJQCTLFMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-18-11-14(17)16-7-5-12(6-8-16)15-10-13-4-2-3-9-19-13/h3,9,12-13,15H,2,4-8,10-11H2,1H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone?
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 268.36 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 62064231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).