(6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H30N2O3 — CID 95893606

IUPAC(6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)OCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H30N2O3/c1-17(2)26-14-20(25)22-12-6-10-21(15-22)11-9-19(24)23(16-21)13-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3/t21-/m1/s1
InChIKeyQRIRWGLAACPGKG-OAQYLSRUSA-N
MW358.48 g/mol
LogP2.84
Rot. Bonds5

About (6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95893606) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95893606
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)OCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H30N2O3/c1-17(2)26-14-20(25)22-12-6-10-21(15-22)11-9-19(24)23(16-21)13-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3/t21-/m1/s1
InChIKeyQRIRWGLAACPGKG-OAQYLSRUSA-N
XLogP2.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95893606) is (6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one is CC(C)OCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1.
What is the InChIKey of (6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is QRIRWGLAACPGKG-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-17(2)26-14-20(25)22-12-6-10-21(15-22)11-9-19(24)23(16-21)13-18-7-4-3-5-8-18/h3-5,7-8,17H,6,9-16H2,1-2H3/t21-/m1/s1.
What are the key properties of (6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.48 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95893606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).