2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C15H27N5O2 — CID 131916961

IUPAC2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(CCN3CCOCC3)CC2)C(=O)N1
InChIInChI=1S/C15H27N5O2/c1-18(2)14-16-13(21)15(17-14)3-5-19(6-4-15)7-8-20-9-11-22-12-10-20/h3-12H2,1-2H3,(H,16,17,21)
InChIKeyPJWTVEKNKMDYIV-UHFFFAOYSA-N
MW309.41 g/mol
LogP-0.80
Rot. Bonds3

About 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 131916961) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID131916961
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(CCN3CCOCC3)CC2)C(=O)N1
InChIInChI=1S/C15H27N5O2/c1-18(2)14-16-13(21)15(17-14)3-5-19(6-4-15)7-8-20-9-11-22-12-10-20/h3-12H2,1-2H3,(H,16,17,21)
InChIKeyPJWTVEKNKMDYIV-UHFFFAOYSA-N
XLogP-0.80
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one with MolForge

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Related Compounds

Butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 46984062
8-(1-Acetylpiperidin-4-yl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46990243
Butyl 2-(4-methylpiperazin-1-yl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 46993209
1-[7-(2-Ethoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide
CID 78304625
1-[7-(2-Methoxyethyl)-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperidine-4-carboxamide
CID 78304633
2-[[(cyclopentylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110038037
N,N-dimethyl-2-[[(2-methylpropylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]acetamide
CID 110038039
N,N-dimethyl-2-[[[4-(morpholine-4-carbonyl)piperidin-1-yl]-(propylamino)methylidene]amino]acetamide
CID 110038045
2-[[(butan-2-ylamino)-[4-(morpholine-4-carbonyl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110038053
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110039601
1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111021068
1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111021069

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 131916961) is 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCN(CCN3CCOCC3)CC2)C(=O)N1.
What is the InChIKey of 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is PJWTVEKNKMDYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-18(2)14-16-13(21)15(17-14)3-5-19(6-4-15)7-8-20-9-11-22-12-10-20/h3-12H2,1-2H3,(H,16,17,21).
What are the key properties of 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 309.41 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 131916961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).