(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H30N2O3 — CID 95896359

IUPAC(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCOCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H30N2O3/c1-2-13-26-15-20(25)22-12-6-10-21(16-22)11-9-19(24)23(17-21)14-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3/t21-/m0/s1
InChIKeyVXDKTGCLYBEKSE-NRFANRHFSA-N
MW358.48 g/mol
LogP2.84
Rot. Bonds6

About (6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95896359) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95896359
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCOCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H30N2O3/c1-2-13-26-15-20(25)22-12-6-10-21(16-22)11-9-19(24)23(17-21)14-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3/t21-/m0/s1
InChIKeyVXDKTGCLYBEKSE-NRFANRHFSA-N
XLogP2.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-9-(2-propoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847825
(6S)-2-benzyl-8-[2-(methylamino)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896111
4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide
CID 95873204
(6S)-8-(2-methoxyacetyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95891961
2-butyl-8-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72936910
(6S)-8-(4-aminopiperidine-4-carbonyl)-2-benzyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95870066
(6S)-8-[2-(benzylamino)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95880614
(6R)-2-ethyl-8-[2-(2-hydroxyphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95881198
(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869220
(6R)-8-(3-ethoxypropanoyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896513
(6S)-8-(2-propan-2-yloxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869134
(6R)-8-[2-[benzyl(methyl)amino]acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97122352

Frequently Asked Questions

What is the IUPAC name of (6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95896359) is (6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one is CCCOCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1.
What is the InChIKey of (6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is VXDKTGCLYBEKSE-NRFANRHFSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-13-26-15-20(25)22-12-6-10-21(16-22)11-9-19(24)23(17-21)14-18-7-4-3-5-8-18/h3-5,7-8H,2,6,9-17H2,1H3/t21-/m0/s1.
What are the key properties of (6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95896359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).