1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one

C21H30N2O3 — CID 95208439

IUPAC1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC[C@]2(CCN(Cc3ccc(C(C)=O)cc3)C2)C1
InChIInChI=1S/C21H30N2O3/c1-17(24)19-6-4-18(5-7-19)14-22-12-10-21(15-22)9-3-11-23(16-21)20(25)8-13-26-2/h4-7H,3,8-16H2,1-2H3/t21-/m1/s1
InChIKeySJSQTXQCRUNPBT-OAQYLSRUSA-N
MW358.48 g/mol
LogP2.74
Rot. Bonds6

About 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one

1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one (PubChem CID 95208439) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one
PubChem CID95208439
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC[C@]2(CCN(Cc3ccc(C(C)=O)cc3)C2)C1
InChIInChI=1S/C21H30N2O3/c1-17(24)19-6-4-18(5-7-19)14-22-12-10-21(15-22)9-3-11-23(16-21)20(25)8-13-26-2/h4-7H,3,8-16H2,1-2H3/t21-/m1/s1
InChIKeySJSQTXQCRUNPBT-OAQYLSRUSA-N
XLogP2.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one with MolForge

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Related Compounds

1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
methyl 5-[(5S)-9-[(3,4-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-5-oxopentanoate
CID 42240701
phenyl (5S)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3232751
1-[8-(4-acetylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(2-methoxyethoxy)ethanone
CID 3600409
1-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233425
1-[(5S)-1-[(4-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-3-methoxypropan-1-one
CID 97393060
4-[[(6R)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzamide
CID 97141995
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
2-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97449602
2-(azepan-1-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45182786
methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 45221496

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one (CID 95208439) is 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC[C@]2(CCN(Cc3ccc(C(C)=O)cc3)C2)C1.
What is the InChIKey of 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one?
The InChIKey is SJSQTXQCRUNPBT-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-17(24)19-6-4-18(5-7-19)14-22-12-10-21(15-22)9-3-11-23(16-21)20(25)8-13-26-2/h4-7H,3,8-16H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one?
1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one has a molecular weight of 358.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2-[(4-acetylphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 95208439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).