methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate

C21H30N2O3 — CID 97278100

IUPACmethyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN2C
InChIInChI=1S/C21H30N2O3/c1-22-16-18(17-7-4-3-5-8-17)15-21(22)11-13-23(14-12-21)19(24)9-6-10-20(25)26-2/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-/m0/s1
InChIKeyTUEASTALXLINGU-SFHVURJKSA-N
MW358.48 g/mol
LogP2.81
Rot. Bonds5

About methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate

methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate (PubChem CID 97278100) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate
PubChem CID97278100
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Namemethyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN2C
InChIInChI=1S/C21H30N2O3/c1-22-16-18(17-7-4-3-5-8-17)15-21(22)11-13-23(14-12-21)19(24)9-6-10-20(25)26-2/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-/m0/s1
InChIKeyTUEASTALXLINGU-SFHVURJKSA-N
XLogP2.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pent-3-en-1-one
CID 97276986
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698
2-(2-hydroxyphenyl)-1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97444886
1-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 72913279
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298
1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione
CID 97453749
(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72866137
(4-chlorophenyl)-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97283105
(1-ethyl-5-methylpyrazol-4-yl)-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97272470
(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72926028
5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
CID 72896512
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate (CID 97278100) is methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate is COC(=O)CCCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN2C.
What is the InChIKey of methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate?
The InChIKey is TUEASTALXLINGU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-22-16-18(17-7-4-3-5-8-17)15-21(22)11-13-23(14-12-21)19(24)9-6-10-20(25)26-2/h3-5,7-8,18H,6,9-16H2,1-2H3/t18-/m0/s1.
What are the key properties of methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate?
methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate has a molecular weight of 358.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate is sourced from PubChem (CID 97278100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).