[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone

C19H23N3OS — CID 97370418

IUPAC[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C19H23N3OS/c23-18(17-6-3-12-24-17)22-10-4-7-19(15-22)8-11-21(14-19)13-16-5-1-2-9-20-16/h1-3,5-6,9,12H,4,7-8,10-11,13-15H2/t19-/m1/s1
InChIKeyVYUZBHDABYBVMT-LJQANCHMSA-N
MW341.48 g/mol
LogP3.27
Rot. Bonds3

About [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone

[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone (PubChem CID 97370418) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
PubChem CID97370418
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccccn3)C2)C1
InChIInChI=1S/C19H23N3OS/c23-18(17-6-3-12-24-17)22-10-4-7-19(15-22)8-11-21(14-19)13-16-5-1-2-9-20-16/h1-3,5-6,9,12H,4,7-8,10-11,13-15H2/t19-/m1/s1
InChIKeyVYUZBHDABYBVMT-LJQANCHMSA-N
XLogP3.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
[(3aR,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97376927
[(3aS,6aS)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97376926
2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131651444
[(5S)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97384978
[(5R)-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
CID 97384979
[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97450106
2-(pyridin-2-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171673288
oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 133144937
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463
(5S)-2-[(5-methylthiophen-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97370344

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone (CID 97370418) is [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccccn3)C2)C1.
What is the InChIKey of [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
The InChIKey is VYUZBHDABYBVMT-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-18(17-6-3-12-24-17)22-10-4-7-19(15-22)8-11-21(14-19)13-16-5-1-2-9-20-16/h1-3,5-6,9,12H,4,7-8,10-11,13-15H2/t19-/m1/s1.
What are the key properties of [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone?
[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone has a molecular weight of 341.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 97370418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).