[(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone

C24H29FN2O3 — CID 26392411

IUPAC[(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCOc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1
InChIInChI=1S/C24H29FN2O3/c1-17-4-7-22(28)20(12-17)23(29)27-11-9-24(16-27)8-3-10-26(15-24)14-18-13-19(30-2)5-6-21(18)25/h4-7,12-13,28H,3,8-11,14-16H2,1-2H3/t24-/m1/s1
InChIKeyMLRWHIWOXVKHMI-XMMPIXPASA-N
MW412.51 g/mol
LogP3.98
Rot. Bonds4

About [(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone

[(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone (PubChem CID 26392411) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is [(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name[(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone
PubChem CID26392411
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name[(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone
SMILESCOc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1
InChIInChI=1S/C24H29FN2O3/c1-17-4-7-22(28)20(12-17)23(29)27-11-9-24(16-27)8-3-10-26(15-24)14-18-13-19(30-2)5-6-21(18)25/h4-7,12-13,28H,3,8-11,14-16H2,1-2H3/t24-/m1/s1
InChIKeyMLRWHIWOXVKHMI-XMMPIXPASA-N
XLogP3.98
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dithiepan-6-yl)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 45213747
[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 45197321
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
9-[(2-fluoro-5-methoxyphenyl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 70751244
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95218279
[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone
CID 42461629
[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 45209753
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253
(2-hydroxy-5-methoxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875374
[9-[(2-fluoro-5-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-phenylmethanone;2,2,2-trifluoroacetic acid
CID 69442872
3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 26395243

Frequently Asked Questions

What is the IUPAC name of [(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone?
The IUPAC name of [(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone (CID 26392411) is [(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone.
What is the SMILES notation for [(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone?
The canonical SMILES for [(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone is COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)c4cc(C)ccc4O)C3)C2)c1.
What is the InChIKey of [(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone?
The InChIKey is MLRWHIWOXVKHMI-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-17-4-7-22(28)20(12-17)23(29)27-11-9-24(16-27)8-3-10-26(15-24)14-18-13-19(30-2)5-6-21(18)25/h4-7,12-13,28H,3,8-11,14-16H2,1-2H3/t24-/m1/s1.
What are the key properties of [(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone?
[(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone has a molecular weight of 412.51 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-9-[(2-fluoro-5-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-hydroxy-5-methylphenyl)methanone is sourced from PubChem (CID 26392411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).