2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone

C21H30N2O4 — CID 154565324

IUPAC2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2)N1CCOCC1
InChIInChI=1S/C21H30N2O4/c24-18-14-19(17-4-2-1-3-5-17)27-21(15-18)6-8-22(9-7-21)16-20(25)23-10-12-26-13-11-23/h1-5,18-19,24H,6-16H2/t18-,19-/m1/s1
InChIKeyFVKAZQQAWGGDJU-RTBURBONSA-N
MW374.48 g/mol
LogP1.59
Rot. Bonds3

About 2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone

2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone (PubChem CID 154565324) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone
PubChem CID154565324
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2)N1CCOCC1
InChIInChI=1S/C21H30N2O4/c24-18-14-19(17-4-2-1-3-5-17)27-21(15-18)6-8-22(9-7-21)16-20(25)23-10-12-26-13-11-23/h1-5,18-19,24H,6-16H2/t18-,19-/m1/s1
InChIKeyFVKAZQQAWGGDJU-RTBURBONSA-N
XLogP1.59
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide
CID 154563342
1-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 154816564
3-(3-hydroxyphenyl)-1-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 154824038
N-[3-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-oxopropyl]methanesulfonamide
CID 154821022
(2R,4R)-9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154564842
1-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 154824012
3-(3,5-dimethylpyrazol-1-yl)-1-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 154563709
(4-hydroxy-1-methylpiperidin-4-yl)-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154821214
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 154566554
(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 141372126
(3-fluoro-4-hydroxyphenyl)-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154818101
(4-fluoro-2-hydroxyphenyl)-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154566636

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone (CID 154565324) is 2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone is O=C(CN1CCC2(CC1)C[C@H](O)C[C@H](c1ccccc1)O2)N1CCOCC1.
What is the InChIKey of 2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone?
The InChIKey is FVKAZQQAWGGDJU-RTBURBONSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-18-14-19(17-4-2-1-3-5-17)27-21(15-18)6-8-22(9-7-21)16-20(25)23-10-12-26-13-11-23/h1-5,18-19,24H,6-16H2/t18-,19-/m1/s1.
What are the key properties of 2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone?
2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone has a molecular weight of 374.48 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 154565324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).