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

C26H33N3O3 — CID 129290829

IUPAC3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C1CCN(CCOc2ccc(N3CCOC3=O)cc2)CC1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C26H33N3O3/c1-27(25-19-24(25)20-5-3-2-4-6-20)21-11-13-28(14-12-21)15-17-31-23-9-7-22(8-10-23)29-16-18-32-26(29)30/h2-10,21,24-25H,11-19H2,1H3/t24-,25+/m0/s1
InChIKeyPSXWWMXUCJDPSL-LOSJGSFVSA-N
MW435.57 g/mol
LogP3.97
Rot. Bonds8

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

3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 129290829) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one
PubChem CID129290829
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C1CCN(CCOc2ccc(N3CCOC3=O)cc2)CC1)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C26H33N3O3/c1-27(25-19-24(25)20-5-3-2-4-6-20)21-11-13-28(14-12-21)15-17-31-23-9-7-22(8-10-23)29-16-18-32-26(29)30/h2-10,21,24-25H,11-19H2,1H3/t24-,25+/m0/s1
InChIKeyPSXWWMXUCJDPSL-LOSJGSFVSA-N
XLogP3.97
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one (CID 129290829) is 3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one is CN(C1CCN(CCOc2ccc(N3CCOC3=O)cc2)CC1)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is PSXWWMXUCJDPSL-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-27(25-19-24(25)20-5-3-2-4-6-20)21-11-13-28(14-12-21)15-17-31-23-9-7-22(8-10-23)29-16-18-32-26(29)30/h2-10,21,24-25H,11-19H2,1H3/t24-,25+/m0/s1.
What are the key properties of 3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one?
3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 435.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-[methyl-[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 129290829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).