1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone

C18H31N3O4 — CID 125023420

IUPAC1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone
SMILESCC(=O)N1CC2(CCN(C(=O)CN3CCOCC3)CC2)C[C@]1(C)CO
InChIInChI=1S/C18H31N3O4/c1-15(23)21-13-18(12-17(21,2)14-22)3-5-20(6-4-18)16(24)11-19-7-9-25-10-8-19/h22H,3-14H2,1-2H3/t17-/m1/s1
InChIKeyYYCDHYTWJZAEMT-QGZVFWFLSA-N
MW353.46 g/mol
LogP-0.07
Rot. Bonds3

About 1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone

1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone (PubChem CID 125023420) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone
PubChem CID125023420
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone
SMILESCC(=O)N1CC2(CCN(C(=O)CN3CCOCC3)CC2)C[C@]1(C)CO
InChIInChI=1S/C18H31N3O4/c1-15(23)21-13-18(12-17(21,2)14-22)3-5-20(6-4-18)16(24)11-19-7-9-25-10-8-19/h22H,3-14H2,1-2H3/t17-/m1/s1
InChIKeyYYCDHYTWJZAEMT-QGZVFWFLSA-N
XLogP-0.07
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(hydroxymethyl)-3-methyl-8-(2-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124964311
1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110155722
1-[(3S)-3-(hydroxymethyl)-3-methyl-8-(1-methylpyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124971076
1-[3-(hydroxymethyl)-3-methyl-8-[(2-methylpyrimidin-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110155945
1-[(3R)-8-(1-ethylpyrazole-4-carbonyl)-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124981846
1-[(2S,3R)-1-acetyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-morpholin-4-ylethanone
CID 71760035
2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
CID 97152457
2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
CID 72931753
1-[(3R)-3-(hydroxymethyl)-3-methyl-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 124966320
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1-morpholin-4-ylethanone
CID 114779666
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125011164

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone (CID 125023420) is 1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone is CC(=O)N1CC2(CCN(C(=O)CN3CCOCC3)CC2)C[C@]1(C)CO.
What is the InChIKey of 1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone?
The InChIKey is YYCDHYTWJZAEMT-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-15(23)21-13-18(12-17(21,2)14-22)3-5-20(6-4-18)16(24)11-19-7-9-25-10-8-19/h22H,3-14H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone?
1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone has a molecular weight of 353.46 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 125023420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).