5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one

C19H25N3OS — CID 176681620

IUPAC5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one
SMILESCn1cc(CN2CCNCC23CCCC3)c(=O)cc1-c1ccsc1
InChIInChI=1S/C19H25N3OS/c1-21-11-16(18(23)10-17(21)15-4-9-24-13-15)12-22-8-7-20-14-19(22)5-2-3-6-19/h4,9-11,13,20H,2-3,5-8,12,14H2,1H3
InChIKeyQHTWTEPQNRTSLW-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.83
Rot. Bonds3

About 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one

5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one (PubChem CID 176681620) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one.

Molecular Properties

Compound Name5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one
PubChem CID176681620
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one
SMILESCn1cc(CN2CCNCC23CCCC3)c(=O)cc1-c1ccsc1
InChIInChI=1S/C19H25N3OS/c1-21-11-16(18(23)10-17(21)15-4-9-24-13-15)12-22-8-7-20-14-19(22)5-2-3-6-19/h4,9-11,13,20H,2-3,5-8,12,14H2,1H3
InChIKeyQHTWTEPQNRTSLW-UHFFFAOYSA-N
XLogP2.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one;hydrochloride
CID 176681619
5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-2-(1-methylpyrazol-3-yl)-1H-pyridin-4-one
CID 176681895
5-[[9-[(2S,4R)-2-(2,5-difluorophenyl)-4-(propan-2-ylamino)piperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-1-methyl-2-thiophen-3-ylpyridin-4-one
CID 176681675
5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 136570102
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 176681666
tert-butyl 6-[(1-methyl-4-oxo-6-phenyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane-9-carboxylate
CID 176681969
6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64845217
1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 114857928
1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 65317459
6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845220
1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 102877776
1-[(4-bromo-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64844438

Frequently Asked Questions

What is the IUPAC name of 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one?
The IUPAC name of 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one (CID 176681620) is 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one.
What is the SMILES notation for 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one?
The canonical SMILES for 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one is Cn1cc(CN2CCNCC23CCCC3)c(=O)cc1-c1ccsc1.
What is the InChIKey of 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one?
The InChIKey is QHTWTEPQNRTSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-21-11-16(18(23)10-17(21)15-4-9-24-13-15)12-22-8-7-20-14-19(22)5-2-3-6-19/h4,9-11,13,20H,2-3,5-8,12,14H2,1H3.
What are the key properties of 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one?
5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one has a molecular weight of 343.50 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-1-methyl-2-thiophen-3-ylpyridin-4-one is sourced from PubChem (CID 176681620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).