1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone

C17H24N2O3 — CID 66594601

IUPAC1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccc([C@H]3CNCCO3)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13(20)19-9-6-16(7-10-19)22-15-4-2-14(3-5-15)17-12-18-8-11-21-17/h2-5,16-18H,6-12H2,1H3/t17-/m1/s1
InChIKeyADIYWXOFOSJGSY-QGZVFWFLSA-N
MW304.39 g/mol
LogP1.74
Rot. Bonds3

About 1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone

1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone (PubChem CID 66594601) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone
PubChem CID66594601
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Oc2ccc([C@H]3CNCCO3)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13(20)19-9-6-16(7-10-19)22-15-4-2-14(3-5-15)17-12-18-8-11-21-17/h2-5,16-18H,6-12H2,1H3/t17-/m1/s1
InChIKeyADIYWXOFOSJGSY-QGZVFWFLSA-N
XLogP1.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone (CID 66594601) is 1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone is CC(=O)N1CCC(Oc2ccc([C@H]3CNCCO3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone?
The InChIKey is ADIYWXOFOSJGSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(20)19-9-6-16(7-10-19)22-15-4-2-14(3-5-15)17-12-18-8-11-21-17/h2-5,16-18H,6-12H2,1H3/t17-/m1/s1.
What are the key properties of 1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone?
1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(2S)-morpholin-2-yl]phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 66594601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).