[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone

C21H31N3O3 — CID 91922195

IUPAC[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1ccc(OC)nc1)CC2
InChIInChI=1S/C21H31N3O3/c1-26-14-17-13-24(18-4-3-5-18)15-21(17)8-10-23(11-9-21)20(25)16-6-7-19(27-2)22-12-16/h6-7,12,17-18H,3-5,8-11,13-15H2,1-2H3
InChIKeyQSVNISYBORNYKL-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.44
Rot. Bonds5

About [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone

[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 91922195) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID91922195
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)c1ccc(OC)nc1)CC2
InChIInChI=1S/C21H31N3O3/c1-26-14-17-13-24(18-4-3-5-18)15-21(17)8-10-23(11-9-21)20(25)16-6-7-19(27-2)22-12-16/h6-7,12,17-18H,3-5,8-11,13-15H2,1-2H3
InChIKeyQSVNISYBORNYKL-UHFFFAOYSA-N
XLogP2.44
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone
CID 91922183
[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91921948
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 91922207
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
[4-[(dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91927468
1-[7a-(methoxymethyl)-5-(6-methoxypyridine-3-carbonyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 171143665
[2-cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-4-yl)methanone
CID 91922269
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895

Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone (CID 91922195) is [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone is COCC1CN(C2CCC2)CC12CCN(C(=O)c1ccc(OC)nc1)CC2.
What is the InChIKey of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is QSVNISYBORNYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-26-14-17-13-24(18-4-3-5-18)15-21(17)8-10-23(11-9-21)20(25)16-6-7-19(27-2)22-12-16/h6-7,12,17-18H,3-5,8-11,13-15H2,1-2H3.
What are the key properties of [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone?
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 373.50 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 91922195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).