1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone

C15H28N2O2 — CID 84598799

IUPAC1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone
SMILESCC1CCN(C(=O)CNC(C)C2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12-3-7-17(8-4-12)15(18)11-16-13(2)14-5-9-19-10-6-14/h12-14,16H,3-11H2,1-2H3
InChIKeyDQLKYYFJCWLOHB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone

1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone (PubChem CID 84598799) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone
PubChem CID84598799
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone
SMILESCC1CCN(C(=O)CNC(C)C2CCOCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-12-3-7-17(8-4-12)15(18)11-16-13(2)14-5-9-19-10-6-14/h12-14,16H,3-11H2,1-2H3
InChIKeyDQLKYYFJCWLOHB-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
4-methyl-N-[1-(oxan-4-yl)ethyl]piperidine-1-carboxamide
CID 113258503
1-(4-methylpiperazin-1-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115714222
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052
2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
CID 115707135
2-[1-(oxan-4-yl)ethylamino]-N-pentan-2-ylacetamide
CID 103914830
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
N-[1-(oxan-4-yl)ethyl]morpholine-4-carboxamide
CID 103768181
2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
CID 75483160
methyl 4-methylpiperidine-1-carboxylate;4-methyloxane
CID 90741122
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
4-methyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103901835

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone (CID 84598799) is 1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone is CC1CCN(C(=O)CNC(C)C2CCOCC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone?
The InChIKey is DQLKYYFJCWLOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-3-7-17(8-4-12)15(18)11-16-13(2)14-5-9-19-10-6-14/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone?
1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[1-(oxan-4-yl)ethylamino]ethanone is sourced from PubChem (CID 84598799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).