1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

C20H24N2OS — CID 97372695

IUPAC1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(Cc3ccsc3)CC2)N1Cc1ccccc1
InChIInChI=1S/C20H24N2OS/c23-19-6-8-20(22(19)15-17-4-2-1-3-5-17)9-11-21(12-10-20)14-18-7-13-24-16-18/h1-5,7,13,16H,6,8-12,14-15H2
InChIKeyLTZHLAATKYTNFJ-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.91
Rot. Bonds4

About 1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one

1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97372695) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97372695
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(Cc3ccsc3)CC2)N1Cc1ccccc1
InChIInChI=1S/C20H24N2OS/c23-19-6-8-20(22(19)15-17-4-2-1-3-5-17)9-11-21(12-10-20)14-18-7-13-24-16-18/h1-5,7,13,16H,6,8-12,14-15H2
InChIKeyLTZHLAATKYTNFJ-UHFFFAOYSA-N
XLogP3.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-(2-thienyl)methanone
CID 489822
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
Rac-4-phenyl-8-(1-thiophen-3-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11188596
4-(4-Fluoro-phenyl)-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11269915
4-(4-Fluoro-phenyl)-8-(1-thiophen-3-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11441323
Rac-4-propyl-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 44414888
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
2-Butyl-8-(dimethylamino)-8-thiophen-2-yl-2-azaspiro[4.5]decan-1-one
CID 118662183
Thiophene-2-carboxamide, N-benzyl-N-tert-butyl-
CID 574008
[4-(1-Benzylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 1131749
1-(2-Phenylethyl)-4-(2-thienylcarbonyl)piperazine
CID 1246520

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97372695) is 1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(Cc3ccsc3)CC2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LTZHLAATKYTNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c23-19-6-8-20(22(19)15-17-4-2-1-3-5-17)9-11-21(12-10-20)14-18-7-13-24-16-18/h1-5,7,13,16H,6,8-12,14-15H2.
What are the key properties of 1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one?
1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 340.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97372695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).