2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C21H31N3O2 — CID 70755266

IUPAC2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(Cc3cccc(CN4CCOCC4)c3)CC2)CC1=O
InChIInChI=1S/C21H31N3O2/c1-22-17-21(14-20(22)25)5-7-23(8-6-21)15-18-3-2-4-19(13-18)16-24-9-11-26-12-10-24/h2-4,13H,5-12,14-17H2,1H3
InChIKeyHGEGWOZRGCMULN-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.96
Rot. Bonds4

About 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one

2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70755266) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70755266
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(Cc3cccc(CN4CCOCC4)c3)CC2)CC1=O
InChIInChI=1S/C21H31N3O2/c1-22-17-21(14-20(22)25)5-7-23(8-6-21)15-18-3-2-4-19(13-18)16-24-9-11-26-12-10-24/h2-4,13H,5-12,14-17H2,1H3
InChIKeyHGEGWOZRGCMULN-UHFFFAOYSA-N
XLogP1.96
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

2-methyl-10-[(4-methylsulfonylphenyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679057
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
10-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681265
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
2-(3-methoxypropyl)-8-[(3-methylsulfanylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72867341
10-[(3-fluorophenyl)methyl]-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131681594
N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129456420
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
2-[3-(morpholin-4-ylmethyl)phenyl]ethylphosphonic acid
CID 155789739
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70755266) is 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(Cc3cccc(CN4CCOCC4)c3)CC2)CC1=O.
What is the InChIKey of 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is HGEGWOZRGCMULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-22-17-21(14-20(22)25)5-7-23(8-6-21)15-18-3-2-4-19(13-18)16-24-9-11-26-12-10-24/h2-4,13H,5-12,14-17H2,1H3.
What are the key properties of 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 357.50 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70755266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).