1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone

C15H28N2O2 — CID 114498455

IUPAC1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone
SMILESCCNC1CCN(C(=O)CC2CCCCO2)CC1C
InChIInChI=1S/C15H28N2O2/c1-3-16-14-7-8-17(11-12(14)2)15(18)10-13-6-4-5-9-19-13/h12-14,16H,3-11H2,1-2H3
InChIKeyQPFLHBDAQGGIFT-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone

1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone (PubChem CID 114498455) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone
PubChem CID114498455
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone
SMILESCCNC1CCN(C(=O)CC2CCCCO2)CC1C
InChIInChI=1S/C15H28N2O2/c1-3-16-14-7-8-17(11-12(14)2)15(18)10-13-6-4-5-9-19-13/h12-14,16H,3-11H2,1-2H3
InChIKeyQPFLHBDAQGGIFT-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114498667
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160440
2-cyclohexyl-1-[3-ethyl-4-(ethylamino)piperidin-1-yl]ethanone
CID 114506671
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 129343529
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205304
1-[2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 128992624
1-[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343530
2-(oxan-2-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120994581
1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-2-[(2S)-oxan-2-yl]ethanone
CID 129343528
[4-(ethylamino)-3-methylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 114498414
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone (CID 114498455) is 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone is CCNC1CCN(C(=O)CC2CCCCO2)CC1C.
What is the InChIKey of 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is QPFLHBDAQGGIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-16-14-7-8-17(11-12(14)2)15(18)10-13-6-4-5-9-19-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone?
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 114498455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).