1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone

C18H33N3O4 — CID 91921793

IUPAC1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone
SMILESCOCCN1CC(CO)C2(CCN(C(=O)CN3CCOCC3)CC2)C1
InChIInChI=1S/C18H33N3O4/c1-24-9-6-20-12-16(14-22)18(15-20)2-4-21(5-3-18)17(23)13-19-7-10-25-11-8-19/h16,22H,2-15H2,1H3
InChIKeyGFFFYPQBUZWPCT-UHFFFAOYSA-N
MW355.48 g/mol
LogP-0.50
Rot. Bonds6

About 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone

1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone (PubChem CID 91921793) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone
PubChem CID91921793
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone
SMILESCOCCN1CC(CO)C2(CCN(C(=O)CN3CCOCC3)CC2)C1
InChIInChI=1S/C18H33N3O4/c1-24-9-6-20-12-16(14-22)18(15-20)2-4-21(5-3-18)17(23)13-19-7-10-25-11-8-19/h16,22H,2-15H2,1H3
InChIKeyGFFFYPQBUZWPCT-UHFFFAOYSA-N
XLogP-0.50
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone (CID 91921793) is 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone is COCCN1CC(CO)C2(CCN(C(=O)CN3CCOCC3)CC2)C1.
What is the InChIKey of 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone?
The InChIKey is GFFFYPQBUZWPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-24-9-6-20-12-16(14-22)18(15-20)2-4-21(5-3-18)17(23)13-19-7-10-25-11-8-19/h16,22H,2-15H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone?
1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone has a molecular weight of 355.48 g/mol, XLogP of -0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 91921793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).