1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C17H23N3O2 — CID 134689506

IUPAC1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CCN(C(=O)c1ccc(C)nc1)C2
InChIInChI=1S/C17H23N3O2/c1-13-3-4-15(11-18-13)16(22)20-10-7-17(12-20)5-8-19(9-6-17)14(2)21/h3-4,11H,5-10,12H2,1-2H3
InChIKeySHLHWAZIZIGFGG-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.86
Rot. Bonds1

About 1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 134689506) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID134689506
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CCN(C(=O)c1ccc(C)nc1)C2
InChIInChI=1S/C17H23N3O2/c1-13-3-4-15(11-18-13)16(22)20-10-7-17(12-20)5-8-19(9-6-17)14(2)21/h3-4,11H,5-10,12H2,1-2H3
InChIKeySHLHWAZIZIGFGG-UHFFFAOYSA-N
XLogP1.86
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
(6-methyl-3-pyridinyl)-[(5S)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450065
(6-methyl-3-pyridinyl)-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649232
N-[7-(6-methylpyridine-3-carbonyl)-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98896529
(6-methyl-3-pyridinyl)-piperazin-1-ylmethanone
CID 16787061
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methyl-3-pyridinyl)methanone
CID 131639800
2-azaspiro[4.5]decan-2-yl-(5-methylpyrazin-2-yl)methanone
CID 71999151
1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 171915691
(6S)-1-methyl-8-(6-methylpyridine-3-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97495342
(6-methyl-3-pyridinyl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97452662

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 134689506) is 1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is CC(=O)N1CCC2(CC1)CCN(C(=O)c1ccc(C)nc1)C2.
What is the InChIKey of 1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is SHLHWAZIZIGFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-3-4-15(11-18-13)16(22)20-10-7-17(12-20)5-8-19(9-6-17)14(2)21/h3-4,11H,5-10,12H2,1-2H3.
What are the key properties of 1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 301.39 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 134689506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).