1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone

C107H124N10O26S — CID 158343677

IUPAC1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1ccccc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1nccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CCCN1C(=O)c1cccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1COCCN1C(=O)c1cccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CSCCN1C(=O)c1cccnc1CCO
InChIInChI=1S/C23H27NO5.C21H25N3O5.C21H24N2O6.C21H24N2O5S.C21H24N2O5/c1-16(26)22-20(27)10-6-11-21(22)29-15-18-8-4-5-13-24(18)23(28)19-9-3-2-7-17(19)12-14-25;1-14(26)19-17(27)6-4-7-18(19)29-13-15-5-2-3-11-24(15)21(28)20-16(8-12-25)22-9-10-23-20;1-14(25)20-18(26)5-2-6-19(20)29-13-15-12-28-11-9-23(15)21(27)16-4-3-8-22-17(16)7-10-24;1-14(25)20-18(26)5-2-6-19(20)28-12-15-13-29-11-9-23(15)21(27)16-4-3-8-22-17(16)7-10-24;1-14(25)20-18(26)7-2-8-19(20)28-13-15-5-4-11-23(15)21(27)16-6-3-10-22-17(16)9-12-24/h2-3,6-7,9-11,18,25,27H,4-5,8,12-15H2,1H3;4,6-7,9-10,15,25,27H,2-3,5,8,11-13H2,1H3;2*2-6,8,15,24,26H,7,9-13H2,1H3;2-3,6-8,10,15,24,26H,4-5,9,11-13H2,1H3/t18-;4*15-/m00010/s1
InChIKeyGRLSGWGJTVQSRC-KXGNPUBNSA-N
MW1998.28 g/mol
LogP11.01
Rot. Bonds35

About 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone

1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone (PubChem CID 158343677) has the molecular formula C107H124N10O26S and a molecular weight of 1998.28 g/mol. Its IUPAC name is 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone
PubChem CID158343677
Molecular FormulaC107H124N10O26S
Molecular Weight1998.28 g/mol
Exact Mass1996.84
IUPAC Name1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1ccccc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1nccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CCCN1C(=O)c1cccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1COCCN1C(=O)c1cccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CSCCN1C(=O)c1cccnc1CCO
InChIInChI=1S/C23H27NO5.C21H25N3O5.C21H24N2O6.C21H24N2O5S.C21H24N2O5/c1-16(26)22-20(27)10-6-11-21(22)29-15-18-8-4-5-13-24(18)23(28)19-9-3-2-7-17(19)12-14-25;1-14(26)19-17(27)6-4-7-18(19)29-13-15-5-2-3-11-24(15)21(28)20-16(8-12-25)22-9-10-23-20;1-14(25)20-18(26)5-2-6-19(20)29-13-15-12-28-11-9-23(15)21(27)16-4-3-8-22-17(16)7-10-24;1-14(25)20-18(26)5-2-6-19(20)28-12-15-13-29-11-9-23(15)21(27)16-4-3-8-22-17(16)7-10-24;1-14(25)20-18(26)7-2-8-19(20)28-13-15-5-4-11-23(15)21(27)16-6-3-10-22-17(16)9-12-24/h2-3,6-7,9-11,18,25,27H,4-5,8,12-15H2,1H3;4,6-7,9-10,15,25,27H,2-3,5,8,11-13H2,1H3;2*2-6,8,15,24,26H,7,9-13H2,1H3;2-3,6-8,10,15,24,26H,4-5,9,11-13H2,1H3/t18-;4*15-/m00010/s1
InChIKeyGRLSGWGJTVQSRC-KXGNPUBNSA-N
XLogP11.01
TPSA509.03 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms144
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001998.28
LogP ≤ 511.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone (CID 158343677) is 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone is CC(=O)c1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1ccccc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1nccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CCCN1C(=O)c1cccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1COCCN1C(=O)c1cccnc1CCO.CC(=O)c1c(O)cccc1OC[C@@H]1CSCCN1C(=O)c1cccnc1CCO.
What is the InChIKey of 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone?
The InChIKey is GRLSGWGJTVQSRC-KXGNPUBNSA-N. The full InChI is InChI=1S/C23H27NO5.C21H25N3O5.C21H24N2O6.C21H24N2O5S.C21H24N2O5/c1-16(26)22-20(27)10-6-11-21(22)29-15-18-8-4-5-13-24(18)23(28)19-9-3-2-7-17(19)12-14-25;1-14(26)19-17(27)6-4-7-18(19)29-13-15-5-2-3-11-24(15)21(28)20-16(8-12-25)22-9-10-23-20;1-14(25)20-18(26)5-2-6-19(20)29-13-15-12-28-11-9-23(15)21(27)16-4-3-8-22-17(16)7-10-24;1-14(25)20-18(26)5-2-6-19(20)28-12-15-13-29-11-9-23(15)21(27)16-4-3-8-22-17(16)7-10-24;1-14(25)20-18(26)7-2-8-19(20)28-13-15-5-4-11-23(15)21(27)16-6-3-10-22-17(16)9-12-24/h2-3,6-7,9-11,18,25,27H,4-5,8,12-15H2,1H3;4,6-7,9-10,15,25,27H,2-3,5,8,11-13H2,1H3;2*2-6,8,15,24,26H,7,9-13H2,1H3;2-3,6-8,10,15,24,26H,4-5,9,11-13H2,1H3/t18-;4*15-/m00010/s1.
What are the key properties of 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone?
1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone has a molecular weight of 1998.28 g/mol, XLogP of 11.01, 35 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)benzoyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[3-(2-hydroxyethyl)pyrazine-2-carbonyl]piperidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(2S)-1-[2-(2-hydroxyethyl)pyridine-3-carbonyl]pyrrolidin-2-yl]methoxy]phenyl]ethanone;1-[2-hydroxy-6-[[(3R)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 158343677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).