1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one

C21H32N4O2 — CID 154579691

IUPAC1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one
SMILESCc1nn(C)c(C)c1C(=O)N1CC(CCC(=O)N2CCCC2)C2(CCC2)C1
InChIInChI=1S/C21H32N4O2/c1-15-19(16(2)23(3)22-15)20(27)25-13-17(21(14-25)9-6-10-21)7-8-18(26)24-11-4-5-12-24/h17H,4-14H2,1-3H3
InChIKeyDDDASHNKHYXBHQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.68
Rot. Bonds4

About 1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one

1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one (PubChem CID 154579691) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one
PubChem CID154579691
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one
SMILESCc1nn(C)c(C)c1C(=O)N1CC(CCC(=O)N2CCCC2)C2(CCC2)C1
InChIInChI=1S/C21H32N4O2/c1-15-19(16(2)23(3)22-15)20(27)25-13-17(21(14-25)9-6-10-21)7-8-18(26)24-11-4-5-12-24/h17H,4-14H2,1-3H3
InChIKeyDDDASHNKHYXBHQ-UHFFFAOYSA-N
XLogP2.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(3-methylpyridine-2-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579662
4-methyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]pentan-1-one
CID 154579649
3-[6-(cyclobutanecarbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579644
3-[6-(2-cyclopropylacetyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579663
3-[6-[2-(4-methylphenyl)acetyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579700
3-cyclohexyl-1-[8-(3-oxo-3-pyrrolidin-1-ylpropyl)-6-azaspiro[3.4]octan-6-yl]propan-1-one
CID 154579640
3-[6-(isoquinoline-1-carbonyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579648
3-[6-(3-methoxybenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579632
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-[6-[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579681
ethyl (3R)-1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 81338794
[3-(2-aminoethyl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone;hydrochloride
CID 120727697

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one (CID 154579691) is 1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one is Cc1nn(C)c(C)c1C(=O)N1CC(CCC(=O)N2CCCC2)C2(CCC2)C1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one?
The InChIKey is DDDASHNKHYXBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-15-19(16(2)23(3)22-15)20(27)25-13-17(21(14-25)9-6-10-21)7-8-18(26)24-11-4-5-12-24/h17H,4-14H2,1-3H3.
What are the key properties of 1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one?
1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one has a molecular weight of 372.51 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[6-(1,3,5-trimethylpyrazole-4-carbonyl)-6-azaspiro[3.4]octan-8-yl]propan-1-one is sourced from PubChem (CID 154579691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).