2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

C16H31N3O2 — CID 63853232

IUPAC2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCCNC(C)C1CCCN(C(C)C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H31N3O2/c1-4-17-13(2)15-6-5-7-19(12-15)14(3)16(20)18-8-10-21-11-9-18/h13-15,17H,4-12H2,1-3H3
InChIKeyLQAVSQGMMYJKLU-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.94
Rot. Bonds5

About 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one

2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 63853232) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID63853232
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCCNC(C)C1CCCN(C(C)C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H31N3O2/c1-4-17-13(2)15-6-5-7-19(12-15)14(3)16(20)18-8-10-21-11-9-18/h13-15,17H,4-12H2,1-3H3
InChIKeyLQAVSQGMMYJKLU-UHFFFAOYSA-N
XLogP0.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63854633
2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 63853962
N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]propanamide
CID 63853233
2-(3-acetylpiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63847036
1-(azepan-1-yl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-1-one
CID 63854094
2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63845229
2-[[(1S)-1-cyclohexylethyl]amino]-1-morpholin-4-ylethanone
CID 81385307
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 60638552
2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 100841194
2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81392361
(2S)-2-cyclohexyl-4-methyl-1-morpholin-4-ylpentan-1-one
CID 159145676

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 63853232) is 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is CCNC(C)C1CCCN(C(C)C(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is LQAVSQGMMYJKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-17-13(2)15-6-5-7-19(12-15)14(3)16(20)18-8-10-21-11-9-18/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 297.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 63853232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).