8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C19H23N3OS — CID 131656109

IUPAC8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)NC(=O)CC3c2cccnc2)s1
InChIInChI=1S/C19H23N3OS/c1-14-4-5-16(24-14)13-22-9-6-19(7-10-22)17(11-18(23)21-19)15-3-2-8-20-12-15/h2-5,8,12,17H,6-7,9-11,13H2,1H3,(H,21,23)
InChIKeyLGRLUPIFDPXJGQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.09
Rot. Bonds3

About 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131656109) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131656109
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccc(CN2CCC3(CC2)NC(=O)CC3c2cccnc2)s1
InChIInChI=1S/C19H23N3OS/c1-14-4-5-16(24-14)13-22-9-6-19(7-10-22)17(11-18(23)21-19)15-3-2-8-20-12-15/h2-5,8,12,17H,6-7,9-11,13H2,1H3,(H,21,23)
InChIKeyLGRLUPIFDPXJGQ-UHFFFAOYSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391768
(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97384074
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469769
8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134074654
8-[(5-methylfuran-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155824762
(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469794
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97469660
4-pyridin-3-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131648546
(4S)-8-[(3S)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391776
(4S)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391774
8-(furan-3-ylmethyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131646046
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469969

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 131656109) is 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is Cc1ccc(CN2CCC3(CC2)NC(=O)CC3c2cccnc2)s1.
What is the InChIKey of 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LGRLUPIFDPXJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-14-4-5-16(24-14)13-22-9-6-19(7-10-22)17(11-18(23)21-19)15-3-2-8-20-12-15/h2-5,8,12,17H,6-7,9-11,13H2,1H3,(H,21,23).
What are the key properties of 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 341.48 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131656109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).