8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C19H32N4O2 — CID 46999618

IUPAC8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN(CC)C1=NC2(CCN(C(=O)C3CCCCCC3)CC2)C(=O)N1
InChIInChI=1S/C19H32N4O2/c1-3-22(4-2)18-20-17(25)19(21-18)11-13-23(14-12-19)16(24)15-9-7-5-6-8-10-15/h15H,3-14H2,1-2H3,(H,20,21,25)
InChIKeyCUGAOHIAVFSQBC-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.15
Rot. Bonds3

About 8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 46999618) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID46999618
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCN(CC)C1=NC2(CCN(C(=O)C3CCCCCC3)CC2)C(=O)N1
InChIInChI=1S/C19H32N4O2/c1-3-22(4-2)18-20-17(25)19(21-18)11-13-23(14-12-19)16(24)15-9-7-5-6-8-10-15/h15H,3-14H2,1-2H3,(H,20,21,25)
InChIKeyCUGAOHIAVFSQBC-UHFFFAOYSA-N
XLogP2.15
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(cyclohexanecarbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250882
cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078868
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
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4-(cyclohexanecarbonyl)piperazine-2,6-dione
CID 13063813
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605
2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 118784762
2-(4-ethylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylic acid
CID 70935031
cyclohexyl-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7371550
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615

Frequently Asked Questions

What is the IUPAC name of 8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 46999618) is 8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCN(CC)C1=NC2(CCN(C(=O)C3CCCCCC3)CC2)C(=O)N1.
What is the InChIKey of 8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is CUGAOHIAVFSQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-22(4-2)18-20-17(25)19(21-18)11-13-23(14-12-19)16(24)15-9-7-5-6-8-10-15/h15H,3-14H2,1-2H3,(H,20,21,25).
What are the key properties of 8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 348.49 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 46999618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).