7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one

C19H27N3O2 — CID 97472911

IUPAC7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCC(C)(C)CC(=O)N1CCC2(CC1)CN(Cc1cccnc1)C2=O
InChIInChI=1S/C19H27N3O2/c1-18(2,3)11-16(23)21-9-6-19(7-10-21)14-22(17(19)24)13-15-5-4-8-20-12-15/h4-5,8,12H,6-7,9-11,13-14H2,1-3H3
InChIKeyUWKZGKGEMNRLQQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.47
Rot. Bonds3

About 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one

7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 97472911) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID97472911
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCC(C)(C)CC(=O)N1CCC2(CC1)CN(Cc1cccnc1)C2=O
InChIInChI=1S/C19H27N3O2/c1-18(2,3)11-16(23)21-9-6-19(7-10-21)14-22(17(19)24)13-15-5-4-8-20-12-15/h4-5,8,12H,6-7,9-11,13-14H2,1-3H3
InChIKeyUWKZGKGEMNRLQQ-UHFFFAOYSA-N
XLogP2.47
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one with MolForge

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Related Compounds

7-ethylsulfonyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155826705
(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371896
7-(6-methyl-2-pyridinyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472888
7-(cyclobutylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472901
2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45233209
(5R)-9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490097
9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131645726
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
(5R)-2-[(E)-2-methylbut-2-enyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26396599
3-methyl-1-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]butan-1-one
CID 131669738
(5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373855

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one (CID 97472911) is 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one is CC(C)(C)CC(=O)N1CCC2(CC1)CN(Cc1cccnc1)C2=O.
What is the InChIKey of 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is UWKZGKGEMNRLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-18(2,3)11-16(23)21-9-6-19(7-10-21)14-22(17(19)24)13-15-5-4-8-20-12-15/h4-5,8,12H,6-7,9-11,13-14H2,1-3H3.
What are the key properties of 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 329.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 97472911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).