4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H27N3O3 — CID 138382256

IUPAC4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(C(=O)CCCCc3cccnc3)CC2)OCC1=O
InChIInChI=1S/C19H27N3O3/c1-21-15-19(25-14-18(21)24)8-11-22(12-9-19)17(23)7-3-2-5-16-6-4-10-20-13-16/h4,6,10,13H,2-3,5,7-9,11-12,14-15H2,1H3
InChIKeyFJJGVPHQEXXKSL-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.64
Rot. Bonds5

About 4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 138382256) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID138382256
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(C(=O)CCCCc3cccnc3)CC2)OCC1=O
InChIInChI=1S/C19H27N3O3/c1-21-15-19(25-14-18(21)24)8-11-22(12-9-19)17(23)7-3-2-5-16-6-4-10-20-13-16/h4,6,10,13H,2-3,5,7-9,11-12,14-15H2,1H3
InChIKeyFJJGVPHQEXXKSL-UHFFFAOYSA-N
XLogP1.64
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1'-(5-pyridin-3-ylpentanoyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164690880
8a-ethyl-7-(5-pyridin-3-ylpentanoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146042630
9-[3-(1,3-benzodioxol-5-yl)propanoyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77081181
9-(3-methylsulfanylpropanoyl)-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72888632
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110611606
1-[4-[(5-methylfuran-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-pyridin-3-ylpropan-1-one
CID 131919477
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115304597
4-methyl-9-[2-(2-phenylmethoxyphenyl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 138381768
1-methyl-2-oxo-8-(3-pyridin-3-ylpropanoyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72861938
4-phenyl-9-(3-phenylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986038
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132
1-(4-methylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-pyridin-3-ylethanone
CID 131911352

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 138382256) is 4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(C(=O)CCCCc3cccnc3)CC2)OCC1=O.
What is the InChIKey of 4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FJJGVPHQEXXKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-21-15-19(25-14-18(21)24)8-11-22(12-9-19)17(23)7-3-2-5-16-6-4-10-20-13-16/h4,6,10,13H,2-3,5,7-9,11-12,14-15H2,1H3.
What are the key properties of 4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 345.44 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(5-pyridin-3-ylpentanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 138382256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).