1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone

C14H27N3O2 — CID 70754523

IUPAC1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
SMILESCC[C@H]1COCCN1C(=O)CN(C)C1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-3-12-11-19-9-8-17(12)14(18)10-16(2)13-4-6-15-7-5-13/h12-13,15H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyIGUSKJJVIGBBQD-LBPRGKRZSA-N
MW269.39 g/mol
LogP0.31
Rot. Bonds4

About 1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone

1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone (PubChem CID 70754523) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
PubChem CID70754523
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
SMILESCC[C@H]1COCCN1C(=O)CN(C)C1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-3-12-11-19-9-8-17(12)14(18)10-16(2)13-4-6-15-7-5-13/h12-13,15H,3-11H2,1-2H3/t12-/m0/s1
InChIKeyIGUSKJJVIGBBQD-LBPRGKRZSA-N
XLogP0.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?
The IUPAC name of 1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone (CID 70754523) is 1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?
The canonical SMILES for 1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone is CC[C@H]1COCCN1C(=O)CN(C)C1CCNCC1.
What is the InChIKey of 1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?
The InChIKey is IGUSKJJVIGBBQD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-12-11-19-9-8-17(12)14(18)10-16(2)13-4-6-15-7-5-13/h12-13,15H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone?
1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone has a molecular weight of 269.39 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-ethylmorpholin-4-yl]-2-[methyl(piperidin-4-yl)amino]ethanone is sourced from PubChem (CID 70754523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).