2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H28N2O4 — CID 131661780

IUPAC2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(C(=O)C3CCCCC3)CC2)CC1C(=O)O
InChIInChI=1S/C18H28N2O4/c1-13(21)20-12-18(11-15(20)17(23)24)7-9-19(10-8-18)16(22)14-5-3-2-4-6-14/h14-15H,2-12H2,1H3,(H,23,24)
InChIKeySVEODIQMPWXKAN-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.88
Rot. Bonds2

About 2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 131661780) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID131661780
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)N1CC2(CCN(C(=O)C3CCCCC3)CC2)CC1C(=O)O
InChIInChI=1S/C18H28N2O4/c1-13(21)20-12-18(11-15(20)17(23)24)7-9-19(10-8-18)16(22)14-5-3-2-4-6-14/h14-15H,2-12H2,1H3,(H,23,24)
InChIKeySVEODIQMPWXKAN-UHFFFAOYSA-N
XLogP1.88
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 131661780) is 2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)N1CC2(CCN(C(=O)C3CCCCC3)CC2)CC1C(=O)O.
What is the InChIKey of 2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is SVEODIQMPWXKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13(21)20-12-18(11-15(20)17(23)24)7-9-19(10-8-18)16(22)14-5-3-2-4-6-14/h14-15H,2-12H2,1H3,(H,23,24).
What are the key properties of 2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 336.43 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-8-(cyclohexanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 131661780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).