1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone

C19H32N2O3 — CID 91925011

IUPAC1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
SMILESCC(=O)N1CC(CO)C2(CCN(C(=O)CC3CCCCC3)CC2)C1
InChIInChI=1S/C19H32N2O3/c1-15(23)21-12-17(13-22)19(14-21)7-9-20(10-8-19)18(24)11-16-5-3-2-4-6-16/h16-17,22H,2-14H2,1H3
InChIKeyZPZXTGIUGYNBBV-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.04
Rot. Bonds3

About 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone

1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone (PubChem CID 91925011) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
PubChem CID91925011
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone
SMILESCC(=O)N1CC(CO)C2(CCN(C(=O)CC3CCCCC3)CC2)C1
InChIInChI=1S/C19H32N2O3/c1-15(23)21-12-17(13-22)19(14-21)7-9-20(10-8-19)18(24)11-16-5-3-2-4-6-16/h16-17,22H,2-14H2,1H3
InChIKeyZPZXTGIUGYNBBV-UHFFFAOYSA-N
XLogP2.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone (CID 91925011) is 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone is CC(=O)N1CC(CO)C2(CCN(C(=O)CC3CCCCC3)CC2)C1.
What is the InChIKey of 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
The InChIKey is ZPZXTGIUGYNBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-15(23)21-12-17(13-22)19(14-21)7-9-20(10-8-19)18(24)11-16-5-3-2-4-6-16/h16-17,22H,2-14H2,1H3.
What are the key properties of 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone?
1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone has a molecular weight of 336.48 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-cyclohexylethanone is sourced from PubChem (CID 91925011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).