1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone

C18H26N2O2 — CID 3233949

IUPAC1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H26N2O2/c1-22-13-17(21)20-10-5-8-18(15-20)9-11-19(14-18)12-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3/t18-/m0/s1
InChIKeyFGIBCHMGVOETRF-SFHVURJKSA-N
MW302.42 g/mol
LogP2.15
Rot. Bonds4

About 1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone

1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone (PubChem CID 3233949) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
PubChem CID3233949
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C18H26N2O2/c1-22-13-17(21)20-10-5-8-18(15-20)9-11-19(14-18)12-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3/t18-/m0/s1
InChIKeyFGIBCHMGVOETRF-SFHVURJKSA-N
XLogP2.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
1-[(5S)-9-[(3-ethenylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-methoxyethanone
CID 95211406
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
2-methoxy-1-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131651444
2-[2-(9-benzyl-2,9-diazaspiro[4.5]decan-2-yl)-2-oxoethoxy]acetic acid;2,2,2-trifluoroacetic acid
CID 166240208
2-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97449602
1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one
CID 95208439
1-[2-[(2-aminopyrimidin-5-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 56753797
tert-butyl 2-benzyl-2,8-diazaspiro[3.6]decane-8-carboxylate
CID 139877676
1-(8-benzyl-2,8-diazaspiro[5.5]undecan-2-yl)-2-(triazol-1-yl)ethanone
CID 119073733
1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 95221644

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
The IUPAC name of 1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone (CID 3233949) is 1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
The InChIKey is FGIBCHMGVOETRF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-13-17(21)20-10-5-8-18(15-20)9-11-19(14-18)12-16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone has a molecular weight of 302.42 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone is sourced from PubChem (CID 3233949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).