furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C20H26N2O3S — CID 133140726

IUPACfuran-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCC1CN(Cc2cccs2)CC12CCN(C(=O)c1ccoc1)CC2
InChIInChI=1S/C20H26N2O3S/c1-24-14-17-11-21(12-18-3-2-10-26-18)15-20(17)5-7-22(8-6-20)19(23)16-4-9-25-13-16/h2-4,9-10,13,17H,5-8,11-12,14-15H2,1H3
InChIKeyBMFJFBZHFRDYDN-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.34
Rot. Bonds5

About furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 133140726) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID133140726
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Namefuran-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCC1CN(Cc2cccs2)CC12CCN(C(=O)c1ccoc1)CC2
InChIInChI=1S/C20H26N2O3S/c1-24-14-17-11-21(12-18-3-2-10-26-18)15-20(17)5-7-22(8-6-20)19(23)16-4-9-25-13-16/h2-4,9-10,13,17H,5-8,11-12,14-15H2,1H3
InChIKeyBMFJFBZHFRDYDN-UHFFFAOYSA-N
XLogP3.34
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-1-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 131678281
8-(furan-3-ylmethyl)-4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155864094
1-[8-(furan-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922112
4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131660669
(5S,9S)-9-(methoxymethyl)-7-methyl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124820197
(5R,9R)-9-(methoxymethyl)-7-methyl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155851278
[2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133140386
[4-(methoxymethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1,3-oxazol-4-yl)methanone
CID 131648230
(E)-1-[(4R,5R)-2-ethyl-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 97486741
[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
CID 97486317
furan-3-yl-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97370696
[4-(methoxymethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methylthiophen-2-yl)methanone
CID 133140802

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 133140726) is furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is COCC1CN(Cc2cccs2)CC12CCN(C(=O)c1ccoc1)CC2.
What is the InChIKey of furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is BMFJFBZHFRDYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-24-14-17-11-21(12-18-3-2-10-26-18)15-20(17)5-7-22(8-6-20)19(23)16-4-9-25-13-16/h2-4,9-10,13,17H,5-8,11-12,14-15H2,1H3.
What are the key properties of furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 374.51 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 133140726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).