3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

C21H29N3O2 — CID 154579662

IUPAC3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccnc1C(=O)N1CC(CCC(=O)N2CCCC2)C2(CCC2)C1
InChIInChI=1S/C21H29N3O2/c1-16-6-4-11-22-19(16)20(26)24-14-17(21(15-24)9-5-10-21)7-8-18(25)23-12-2-3-13-23/h4,6,11,17H,2-3,5,7-10,12-15H2,1H3
InChIKeyZAHYUDRYZNMDTH-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.03
Rot. Bonds4

About 3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 154579662) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID154579662
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cccnc1C(=O)N1CC(CCC(=O)N2CCCC2)C2(CCC2)C1
InChIInChI=1S/C21H29N3O2/c1-16-6-4-11-22-19(16)20(26)24-14-17(21(15-24)9-5-10-21)7-8-18(25)23-12-2-3-13-23/h4,6,11,17H,2-3,5,7-10,12-15H2,1H3
InChIKeyZAHYUDRYZNMDTH-UHFFFAOYSA-N
XLogP3.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579648
1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one
CID 154579691
3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579700
3-[6-(3-methoxybenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579632
4-methyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]pentan-1-one
CID 154579649
3-[6-(2-cyclopropylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579663
3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579644
3-[6-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579685
3-cyclohexyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 154579640
3-[6-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579681
3-[6-[3-(3-chlorophenyl)-1H-pyrazole-5-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579688
[8-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-6-azaspiro[3.4]octan-6-yl]-(3-methyl-2-pyridinyl)methanone
CID 155882507

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 154579662) is 3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is Cc1cccnc1C(=O)N1CC(CCC(=O)N2CCCC2)C2(CCC2)C1.
What is the InChIKey of 3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZAHYUDRYZNMDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-6-4-11-22-19(16)20(26)24-14-17(21(15-24)9-5-10-21)7-8-18(25)23-12-2-3-13-23/h4,6,11,17H,2-3,5,7-10,12-15H2,1H3.
What are the key properties of 3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 355.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 154579662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).