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

C24H30N2O2 — CID 3233551

IUPAC1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C24H30N2O2/c1-28-17-22(27)25-15-8-13-24(18-25)14-16-26(19-24)23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,23H,8,13-19H2,1H3/t24-/m1/s1
InChIKeyLUVZVUXYCOSILK-XMMPIXPASA-N
MW378.52 g/mol
LogP3.74
Rot. Bonds5

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

1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone (PubChem CID 3233551) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
PubChem CID3233551
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1
InChIInChI=1S/C24H30N2O2/c1-28-17-22(27)25-15-8-13-24(18-25)14-16-26(19-24)23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,23H,8,13-19H2,1H3/t24-/m1/s1
InChIKeyLUVZVUXYCOSILK-XMMPIXPASA-N
XLogP3.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
The IUPAC name of 1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone (CID 3233551) is 1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@@]2(CCN(C(c3ccccc3)c3ccccc3)C2)C1.
What is the InChIKey of 1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
The InChIKey is LUVZVUXYCOSILK-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-17-22(27)25-15-8-13-24(18-25)14-16-26(19-24)23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,23H,8,13-19H2,1H3/t24-/m1/s1.
What are the key properties of 1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone?
1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone has a molecular weight of 378.52 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-2-benzhydryl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone is sourced from PubChem (CID 3233551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).