1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone

C17H28N2O3 — CID 110155656

IUPAC1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone
SMILESCC(=O)N1CC2(CCN(C(=O)CC3CC3)CC2)CC1(C)CO
InChIInChI=1S/C17H28N2O3/c1-13(21)19-11-17(10-16(19,2)12-20)5-7-18(8-6-17)15(22)9-14-3-4-14/h14,20H,3-12H2,1-2H3
InChIKeyHENQZFGMWZYTPJ-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.40
Rot. Bonds3

About 1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone

1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone (PubChem CID 110155656) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone
PubChem CID110155656
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone
SMILESCC(=O)N1CC2(CCN(C(=O)CC3CC3)CC2)CC1(C)CO
InChIInChI=1S/C17H28N2O3/c1-13(21)19-11-17(10-16(19,2)12-20)5-7-18(8-6-17)15(22)9-14-3-4-14/h14,20H,3-12H2,1-2H3
InChIKeyHENQZFGMWZYTPJ-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone?
The IUPAC name of 1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone (CID 110155656) is 1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone?
The canonical SMILES for 1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone is CC(=O)N1CC2(CCN(C(=O)CC3CC3)CC2)CC1(C)CO.
What is the InChIKey of 1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone?
The InChIKey is HENQZFGMWZYTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(21)19-11-17(10-16(19,2)12-20)5-7-18(8-6-17)15(22)9-14-3-4-14/h14,20H,3-12H2,1-2H3.
What are the key properties of 1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone?
1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone has a molecular weight of 308.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-3-(hydroxymethyl)-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclopropylethanone is sourced from PubChem (CID 110155656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).