4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one

C26H33N3O3 — CID 129279681

IUPAC4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N3O3/c30-26-19-31-16-15-29(26)22-6-8-23(9-7-22)32-17-14-28-12-10-21(11-13-28)27-25-18-24(25)20-4-2-1-3-5-20/h1-9,21,24-25,27H,10-19H2/t24-,25+/m0/s1
InChIKeyUQJTZTMMRWZLHR-LOSJGSFVSA-N
MW435.57 g/mol
LogP3.04
Rot. Bonds8

About 4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one

4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one (PubChem CID 129279681) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one
PubChem CID129279681
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N3O3/c30-26-19-31-16-15-29(26)22-6-8-23(9-7-22)32-17-14-28-12-10-21(11-13-28)27-25-18-24(25)20-4-2-1-3-5-20/h1-9,21,24-25,27H,10-19H2/t24-,25+/m0/s1
InChIKeyUQJTZTMMRWZLHR-LOSJGSFVSA-N
XLogP3.04
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one (CID 129279681) is 4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one?
The InChIKey is UQJTZTMMRWZLHR-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-26-19-31-16-15-29(26)22-6-8-23(9-7-22)32-17-14-28-12-10-21(11-13-28)27-25-18-24(25)20-4-2-1-3-5-20/h1-9,21,24-25,27H,10-19H2/t24-,25+/m0/s1.
What are the key properties of 4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one?
4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one has a molecular weight of 435.57 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]morpholin-3-one is sourced from PubChem (CID 129279681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).