[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone

C22H32N2O4 — CID 175655804

IUPAC[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
SMILESCC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)c4ccccn4)CC3)CO2)O1
InChIInChI=1S/C22H32N2O4/c1-20(2,26)17-7-8-21(3,28-17)18-14-22(15-27-18)9-12-24(13-10-22)19(25)16-6-4-5-11-23-16/h4-6,11,17-18,26H,7-10,12-15H2,1-3H3/t17-,18-,21+/m0/s1
InChIKeyKTSHEAHLVVTPGT-BBTUJRGHSA-N
MW388.51 g/mol
LogP2.80
Rot. Bonds3

About [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone

[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone (PubChem CID 175655804) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
PubChem CID175655804
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
SMILESCC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)c4ccccn4)CC3)CO2)O1
InChIInChI=1S/C22H32N2O4/c1-20(2,26)17-7-8-21(3,28-17)18-14-22(15-27-18)9-12-24(13-10-22)19(25)16-6-4-5-11-23-16/h4-6,11,17-18,26H,7-10,12-15H2,1-3H3/t17-,18-,21+/m0/s1
InChIKeyKTSHEAHLVVTPGT-BBTUJRGHSA-N
XLogP2.80
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110143015
1-[(3R)-3-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-naphthalen-2-yloxyethanone
CID 155987783
[(3R)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-[4-(3-methoxyphenyl)phenyl]methanone
CID 110142919
[(3R)-3-(pyrazin-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone
CID 125017858
1-methyl-3-[[(3R)-9-(pyridine-2-carbonyl)-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]urea
CID 97490740
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 2608181
[(4aS,10bS)-7-methoxy-5,5-dimethylspiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-1'-yl]-pyridin-2-ylmethanone
CID 110142618
(3-chlorophenyl)-[(3R)-3-[(2R,5S)-5-hydroxy-2,6,6-trimethyloxan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 110142940
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
CID 72864845
(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 171696044
1-[1-(pyridine-2-carbonyl)piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 68604423
pyridin-4-yl-[3-(pyridin-2-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131658723

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone (CID 175655804) is [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone is CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC3(CCN(C(=O)c4ccccn4)CC3)CO2)O1.
What is the InChIKey of [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
The InChIKey is KTSHEAHLVVTPGT-BBTUJRGHSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-20(2,26)17-7-8-21(3,28-17)18-14-22(15-27-18)9-12-24(13-10-22)19(25)16-6-4-5-11-23-16/h4-6,11,17-18,26H,7-10,12-15H2,1-3H3/t17-,18-,21+/m0/s1.
What are the key properties of [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone?
[(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone has a molecular weight of 388.51 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 175655804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).