1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone

C20H27N3O4 — CID 71760035

IUPAC1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone
SMILESCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CN1CCOCC1)C2
InChIInChI=1S/C20H27N3O4/c1-15(25)23-17(12-24)19(16-5-3-2-4-6-16)20(23)13-22(14-20)18(26)11-21-7-9-27-10-8-21/h2-6,17,19,24H,7-14H2,1H3/t17-,19-/m1/s1
InChIKeyGBIZXPNTJXJERG-IEBWSBKVSA-N
MW373.45 g/mol
LogP-0.09
Rot. Bonds4

About 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone

1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone (PubChem CID 71760035) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone
PubChem CID71760035
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone
SMILESCC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CN1CCOCC1)C2
InChIInChI=1S/C20H27N3O4/c1-15(25)23-17(12-24)19(16-5-3-2-4-6-16)20(23)13-22(14-20)18(26)11-21-7-9-27-10-8-21/h2-6,17,19,24H,7-14H2,1H3/t17-,19-/m1/s1
InChIKeyGBIZXPNTJXJERG-IEBWSBKVSA-N
XLogP-0.09
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone (CID 71760035) is 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone is CC(=O)N1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)CN1CCOCC1)C2.
What is the InChIKey of 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone?
The InChIKey is GBIZXPNTJXJERG-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-15(25)23-17(12-24)19(16-5-3-2-4-6-16)20(23)13-22(14-20)18(26)11-21-7-9-27-10-8-21/h2-6,17,19,24H,7-14H2,1H3/t17-,19-/m1/s1.
What are the key properties of 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone?
1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone has a molecular weight of 373.45 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 71760035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).