1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone

C22H36N4O5 — CID 75536433

IUPAC1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC[C@H]2O[C@H](Cc3cc(CN4CCOCC4)on3)CC[C@@H]2O)CC1
InChIInChI=1S/C22H36N4O5/c1-16(27)26-6-4-17(5-7-26)23-14-22-21(28)3-2-19(30-22)12-18-13-20(31-24-18)15-25-8-10-29-11-9-25/h13,17,19,21-23,28H,2-12,14-15H2,1H3/t19-,21-,22+/m0/s1
InChIKeyCCZGHFRBBDSFCM-ILWGZMRPSA-N
MW436.55 g/mol
LogP0.56
Rot. Bonds7

About 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone

1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone (PubChem CID 75536433) has the molecular formula C22H36N4O5 and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone
PubChem CID75536433
Molecular FormulaC22H36N4O5
Molecular Weight436.55 g/mol
Exact Mass436.27
IUPAC Name1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC[C@H]2O[C@H](Cc3cc(CN4CCOCC4)on3)CC[C@@H]2O)CC1
InChIInChI=1S/C22H36N4O5/c1-16(27)26-6-4-17(5-7-26)23-14-22-21(28)3-2-19(30-22)12-18-13-20(31-24-18)15-25-8-10-29-11-9-25/h13,17,19,21-23,28H,2-12,14-15H2,1H3/t19-,21-,22+/m0/s1
InChIKeyCCZGHFRBBDSFCM-ILWGZMRPSA-N
XLogP0.56
TPSA100.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone (CID 75536433) is 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC[C@H]2O[C@H](Cc3cc(CN4CCOCC4)on3)CC[C@@H]2O)CC1.
What is the InChIKey of 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone?
The InChIKey is CCZGHFRBBDSFCM-ILWGZMRPSA-N. The full InChI is InChI=1S/C22H36N4O5/c1-16(27)26-6-4-17(5-7-26)23-14-22-21(28)3-2-19(30-22)12-18-13-20(31-24-18)15-25-8-10-29-11-9-25/h13,17,19,21-23,28H,2-12,14-15H2,1H3/t19-,21-,22+/m0/s1.
What are the key properties of 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone?
1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone has a molecular weight of 436.55 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2R,3S,6S)-3-hydroxy-6-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]oxan-2-yl]methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 75536433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).