(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H31N3O2 — CID 95869220

IUPAC(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1
InChIInChI=1S/C21H31N3O2/c1-2-3-4-8-19(25)23-13-6-10-21(16-23)11-9-20(26)24(17-21)15-18-7-5-12-22-14-18/h5,7,12,14H,2-4,6,8-11,13,15-17H2,1H3/t21-/m1/s1
InChIKeyUFXSGHCXDICTTO-OAQYLSRUSA-N
MW357.50 g/mol
LogP3.39
Rot. Bonds6

About (6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95869220) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95869220
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1
InChIInChI=1S/C21H31N3O2/c1-2-3-4-8-19(25)23-13-6-10-21(16-23)11-9-20(26)24(17-21)15-18-7-5-12-22-14-18/h5,7,12,14H,2-4,6,8-11,13,15-17H2,1H3/t21-/m1/s1
InChIKeyUFXSGHCXDICTTO-OAQYLSRUSA-N
XLogP3.39
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.39
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

N-[2-oxo-2-[3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]acetamide
CID 70732798
2-methyl-N-[2-oxo-2-[3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]propanamide
CID 70707164
(6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95871259
2-methyl-N-[2-oxo-2-[(6S)-3-oxo-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]propanamide
CID 95873898
(6R)-8-[2-(2-methylimidazol-1-yl)acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97133245
8-(6-oxo-1H-pyridine-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70716400
8-[(5-propylfuran-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70780907
(6S)-8-(3-pyrazol-1-ylpropanoyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578286
4-[(6R)-2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-N-methyl-4-oxobutanamide
CID 95873204
(6R)-2-benzyl-8-(2-propoxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896359
(6S)-8-(2-methoxyacetyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95891961
(6R)-8-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95889268

Frequently Asked Questions

What is the IUPAC name of (6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95869220) is (6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is CCCCCC(=O)N1CCC[C@@]2(CCC(=O)N(Cc3cccnc3)C2)C1.
What is the InChIKey of (6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is UFXSGHCXDICTTO-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-3-4-8-19(25)23-13-6-10-21(16-23)11-9-20(26)24(17-21)15-18-7-5-12-22-14-18/h5,7,12,14H,2-4,6,8-11,13,15-17H2,1H3/t21-/m1/s1.
What are the key properties of (6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-hexanoyl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95869220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).