2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane

C20H26N2O2S — CID 120908013

IUPAC2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESCOc1cc(CN2CCC3(CCNC3)C2)ccc1OCc1cccs1
InChIInChI=1S/C20H26N2O2S/c1-23-19-11-16(4-5-18(19)24-13-17-3-2-10-25-17)12-22-9-7-20(15-22)6-8-21-14-20/h2-5,10-11,21H,6-9,12-15H2,1H3
InChIKeyIVUSXHDWYPDGAD-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.52
Rot. Bonds6

About 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane

2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120908013) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120908013
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESCOc1cc(CN2CCC3(CCNC3)C2)ccc1OCc1cccs1
InChIInChI=1S/C20H26N2O2S/c1-23-19-11-16(4-5-18(19)24-13-17-3-2-10-25-17)12-22-9-7-20(15-22)6-8-21-14-20/h2-5,10-11,21H,6-9,12-15H2,1H3
InChIKeyIVUSXHDWYPDGAD-UHFFFAOYSA-N
XLogP3.52
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane with MolForge

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Related Compounds

2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906820
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908142
2-[(3-methoxythiophen-2-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908511
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908585
2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane
CID 82038614
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
[1-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]-phenylmethanone
CID 75438578
2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906722
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907704

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane (CID 120908013) is 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane is COc1cc(CN2CCC3(CCNC3)C2)ccc1OCc1cccs1.
What is the InChIKey of 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is IVUSXHDWYPDGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-23-19-11-16(4-5-18(19)24-13-17-3-2-10-25-17)12-22-9-7-20(15-22)6-8-21-14-20/h2-5,10-11,21H,6-9,12-15H2,1H3.
What are the key properties of 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 358.51 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120908013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).