8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane

C20H31N3O — CID 131662117

IUPAC8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(C3CCC3)CC2)CN1Cc1ccncc1
InChIInChI=1S/C20H31N3O/c1-24-15-19-13-20(7-11-22(12-8-20)18-3-2-4-18)16-23(19)14-17-5-9-21-10-6-17/h5-6,9-10,18-19H,2-4,7-8,11-16H2,1H3
InChIKeyHVPBOBLZTZFGDF-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.94
Rot. Bonds5

About 8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane

8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 131662117) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID131662117
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CC2(CCN(C3CCC3)CC2)CN1Cc1ccncc1
InChIInChI=1S/C20H31N3O/c1-24-15-19-13-20(7-11-22(12-8-20)18-3-2-4-18)16-23(19)14-17-5-9-21-10-6-17/h5-6,9-10,18-19H,2-4,7-8,11-16H2,1H3
InChIKeyHVPBOBLZTZFGDF-UHFFFAOYSA-N
XLogP2.94
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopentane-1-carbonitrile;2,2,2-trifluoroacetic acid
CID 171693432
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131679665
[3-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131681929
(2S)-2-(methoxymethyl)-1-methylsulfonyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474957
(3R)-3-(methoxymethyl)-8-[(4-methoxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane
CID 97476268
3-(cyclopropylmethoxymethyl)-8-propan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131663585
[8-cyclopentyl-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155830802
4-[[8-(cyclopropylmethyl)-3-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-2-methyl-1,3-thiazole
CID 118745721
9-cyclobutyl-3-(4-pyridin-4-ylphenyl)-3,9-diazaspiro[5.5]undecane
CID 59818719
(3S,9aR)-3-ethyl-2-(pyridin-4-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 97161241
3-ethyl-2-(pyridin-4-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926305
1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone
CID 59333116

Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 131662117) is 8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane is COCC1CC2(CCN(C3CCC3)CC2)CN1Cc1ccncc1.
What is the InChIKey of 8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is HVPBOBLZTZFGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-24-15-19-13-20(7-11-22(12-8-20)18-3-2-4-18)16-23(19)14-17-5-9-21-10-6-17/h5-6,9-10,18-19H,2-4,7-8,11-16H2,1H3.
What are the key properties of 8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane?
8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 329.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyl-3-(methoxymethyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131662117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).