8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C22H27N3O3 — CID 70783516

IUPAC8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C(=O)N2CCCC3(CCC(=O)N(Cc4ccncc4)C3)C2)c(C)o1
InChIInChI=1S/C22H27N3O3/c1-16-12-19(17(2)28-16)21(27)24-11-3-7-22(14-24)8-4-20(26)25(15-22)13-18-5-9-23-10-6-18/h5-6,9-10,12H,3-4,7-8,11,13-15H2,1-2H3
InChIKeyFMGWQALPVWCKSH-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.34
Rot. Bonds3

About 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70783516) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70783516
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C(=O)N2CCCC3(CCC(=O)N(Cc4ccncc4)C3)C2)c(C)o1
InChIInChI=1S/C22H27N3O3/c1-16-12-19(17(2)28-16)21(27)24-11-3-7-22(14-24)8-4-20(26)25(15-22)13-18-5-9-23-10-6-18/h5-6,9-10,12H,3-4,7-8,11,13-15H2,1-2H3
InChIKeyFMGWQALPVWCKSH-UHFFFAOYSA-N
XLogP3.34
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(6S)-8-(furan-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97121102
8-(2,5-dimethylfuran-3-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72859833
(6R)-8-(2,5-dimethylfuran-3-carbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97118568
(6S)-8-(2-methoxyacetyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95891961
(6S)-8-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97285245
2,2-dimethylpropyl 3-oxo-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 70749106
1,1-dimethyl-3-[2-oxo-2-[3-oxo-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]urea
CID 70764104
2-[(5-methylpyrazin-2-yl)methyl]-8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72840383
(6S)-8-(3-pyrazol-1-ylpropanoyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578286
(6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97151690
9-(3-methylbenzoyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905211
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70783516) is 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cc(C(=O)N2CCCC3(CCC(=O)N(Cc4ccncc4)C3)C2)c(C)o1.
What is the InChIKey of 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is FMGWQALPVWCKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-12-19(17(2)28-16)21(27)24-11-3-7-22(14-24)8-4-20(26)25(15-22)13-18-5-9-23-10-6-18/h5-6,9-10,12H,3-4,7-8,11,13-15H2,1-2H3.
What are the key properties of 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 381.48 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylfuran-3-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70783516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).