2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone

C14H26N2O3 — CID 62386172

IUPAC2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C14H26N2O3/c1-18-11-14(17)16-6-2-13(3-7-16)15-10-12-4-8-19-9-5-12/h12-13,15H,2-11H2,1H3
InChIKeyDJMJWLCPYIRAIY-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.64
Rot. Bonds5

About 2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone

2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone (PubChem CID 62386172) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone
PubChem CID62386172
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C14H26N2O3/c1-18-11-14(17)16-6-2-13(3-7-16)15-10-12-4-8-19-9-5-12/h12-13,15H,2-11H2,1H3
InChIKeyDJMJWLCPYIRAIY-UHFFFAOYSA-N
XLogP0.64
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone (CID 62386172) is 2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone is COCC(=O)N1CCC(NCC2CCOCC2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is DJMJWLCPYIRAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-18-11-14(17)16-6-2-13(3-7-16)15-10-12-4-8-19-9-5-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 270.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(oxan-4-ylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 62386172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).