[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone

C19H27NO5 — CID 135093819

IUPAC[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c(OC)c1OC
InChIInChI=1S/C19H27NO5/c1-23-14-8-7-13(16(24-2)17(14)25-3)18(22)20-11-5-10-19(12-20)9-4-6-15(19)21/h7-8,15,21H,4-6,9-12H2,1-3H3/t15-,19+/m1/s1
InChIKeyWHJLDDPUCFIGCN-BEFAXECRSA-N
MW349.43 g/mol
LogP2.48
Rot. Bonds4

About [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone

[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 135093819) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone
PubChem CID135093819
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c(OC)c1OC
InChIInChI=1S/C19H27NO5/c1-23-14-8-7-13(16(24-2)17(14)25-3)18(22)20-11-5-10-19(12-20)9-4-6-15(19)21/h7-8,15,21H,4-6,9-12H2,1-3H3/t15-,19+/m1/s1
InChIKeyWHJLDDPUCFIGCN-BEFAXECRSA-N
XLogP2.48
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone with MolForge

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Related Compounds

azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164699456
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565
(4-hydroxy-4-methylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 71851779
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
(2-chloro-3-methylphenyl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 135101178
(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 60559089
[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
CID 119464967
(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 121187010
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 62069454
4-cyclopentyl-2-methyl-5-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115021

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone?
The IUPAC name of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone (CID 135093819) is [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone.
What is the SMILES notation for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone?
The canonical SMILES for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC[C@@]3(CCC[C@H]3O)C2)c(OC)c1OC.
What is the InChIKey of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone?
The InChIKey is WHJLDDPUCFIGCN-BEFAXECRSA-N. The full InChI is InChI=1S/C19H27NO5/c1-23-14-8-7-13(16(24-2)17(14)25-3)18(22)20-11-5-10-19(12-20)9-4-6-15(19)21/h7-8,15,21H,4-6,9-12H2,1-3H3/t15-,19+/m1/s1.
What are the key properties of [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone?
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 349.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 135093819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).