4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C18H19N3O2S — CID 118744989

IUPAC4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(C(=O)c3cccs3)CC2)N1
InChIInChI=1S/C18H19N3O2S/c22-16-12-14(13-3-7-19-8-4-13)18(20-16)5-9-21(10-6-18)17(23)15-2-1-11-24-15/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,20,22)
InChIKeyFBJCJCWJURODSX-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.42
Rot. Bonds2

About 4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118744989) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118744989
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CC(c2ccncc2)C2(CCN(C(=O)c3cccs3)CC2)N1
InChIInChI=1S/C18H19N3O2S/c22-16-12-14(13-3-7-19-8-4-13)18(20-16)5-9-21(10-6-18)17(23)15-2-1-11-24-15/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,20,22)
InChIKeyFBJCJCWJURODSX-UHFFFAOYSA-N
XLogP2.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-8-benzoyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470012
(4S)-4-pyridin-4-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469996
(4S)-4-pyridin-4-yl-8-(2-thiophen-2-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391832
8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131657887
8-(6-methylpyridine-3-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134070712
4-pyridin-3-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131648546
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985
(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469794
9-(thiophene-2-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97370792
4-phenyl-8-(pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155844440
8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074647
5-methyl-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131649587

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 118744989) is 4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CC(c2ccncc2)C2(CCN(C(=O)c3cccs3)CC2)N1.
What is the InChIKey of 4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FBJCJCWJURODSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-16-12-14(13-3-7-19-8-4-13)18(20-16)5-9-21(10-6-18)17(23)15-2-1-11-24-15/h1-4,7-8,11,14H,5-6,9-10,12H2,(H,20,22).
What are the key properties of 4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 341.44 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118744989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).