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

C16H31N3O2 — CID 63853962

IUPAC2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCCNC(C)C1CCN(C(C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-4-17-13(2)15-5-7-18(8-6-15)14(3)16(20)19-9-11-21-12-10-19/h13-15,17H,4-12H2,1-3H3
InChIKeyNLHIMXGTWODJIM-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.94
Rot. Bonds5

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

2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 63853962) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID63853962
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
SMILESCCNC(C)C1CCN(C(C)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H31N3O2/c1-4-17-13(2)15-5-7-18(8-6-15)14(3)16(20)19-9-11-21-12-10-19/h13-15,17H,4-12H2,1-3H3
InChIKeyNLHIMXGTWODJIM-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one (CID 63853962) is 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is CCNC(C)C1CCN(C(C)C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is NLHIMXGTWODJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-17-13(2)15-5-7-18(8-6-15)14(3)16(20)19-9-11-21-12-10-19/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one?
2-[4-[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-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 63853962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).