(4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C20H31FN2O2 — CID 124790564

IUPAC(4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCCN1C[C@H](COC)C2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C20H31FN2O2/c1-24-11-10-23-14-18(15-25-2)20(16-23)6-8-22(9-7-20)13-17-4-3-5-19(21)12-17/h3-5,12,18H,6-11,13-16H2,1-2H3/t18-/m1/s1
InChIKeyJOBSHIMEVPEUOD-GOSISDBHSA-N
MW350.48 g/mol
LogP2.63
Rot. Bonds7

About (4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

(4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 124790564) has the molecular formula C20H31FN2O2 and a molecular weight of 350.48 g/mol. Its IUPAC name is (4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID124790564
Molecular FormulaC20H31FN2O2
Molecular Weight350.48 g/mol
Exact Mass350.24
IUPAC Name(4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCCN1C[C@H](COC)C2(CCN(Cc3cccc(F)c3)CC2)C1
InChIInChI=1S/C20H31FN2O2/c1-24-11-10-23-14-18(15-25-2)20(16-23)6-8-22(9-7-20)13-17-4-3-5-19(21)12-17/h3-5,12,18H,6-11,13-16H2,1-2H3/t18-/m1/s1
InChIKeyJOBSHIMEVPEUOD-GOSISDBHSA-N
XLogP2.63
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(furan-3-ylmethyl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131677243
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
(3-fluorophenyl)-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155860608
8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131678387
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
(4R)-8-[(4-fluorophenyl)methyl]-2-(furan-2-ylmethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 124795333
8-[(3-fluorophenyl)methyl]-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834191
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 91910522
4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131660669
1-[(3-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450556
(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 124796710
1-[4-(cyclopropylmethoxymethyl)-8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155852208

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of (4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 124790564) is (4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for (4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for (4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCCN1C[C@H](COC)C2(CCN(Cc3cccc(F)c3)CC2)C1.
What is the InChIKey of (4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is JOBSHIMEVPEUOD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31FN2O2/c1-24-11-10-23-14-18(15-25-2)20(16-23)6-8-22(9-7-20)13-17-4-3-5-19(21)12-17/h3-5,12,18H,6-11,13-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
(4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 350.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 124790564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).