1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone

C21H32N4O — CID 166459819

IUPAC1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone
SMILESCC(=O)N1CC2(CC(CN3CCC(c4cnc(C(C)C)nc4)CC3)C2)C1
InChIInChI=1S/C21H32N4O/c1-15(2)20-22-10-19(11-23-20)18-4-6-24(7-5-18)12-17-8-21(9-17)13-25(14-21)16(3)26/h10-11,15,17-18H,4-9,12-14H2,1-3H3
InChIKeyFJAVJJMJPDZDOX-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.04
Rot. Bonds4

About 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone

1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone (PubChem CID 166459819) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone
PubChem CID166459819
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone
SMILESCC(=O)N1CC2(CC(CN3CCC(c4cnc(C(C)C)nc4)CC3)C2)C1
InChIInChI=1S/C21H32N4O/c1-15(2)20-22-10-19(11-23-20)18-4-6-24(7-5-18)12-17-8-21(9-17)13-25(14-21)16(3)26/h10-11,15,17-18H,4-9,12-14H2,1-3H3
InChIKeyFJAVJJMJPDZDOX-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone with MolForge

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Related Compounds

2-methyl-1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
CID 170613507
1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone
CID 166458469
1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 166458532
1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 176559306
2-methylpropanal;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
CID 166458947
phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
CID 170613481
1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
CID 134601157
5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol
CID 166459295
2-methyl-1-[3-[[4-[2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]piperidin-1-yl]methyl]cyclobutyl]propan-1-one
CID 155405472
2-methyl-1-[6-[[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]methyl]spiro[3.3]heptan-2-yl]propan-1-one
CID 167386959
1-[3-[(4-pyridin-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 54259387
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone?
The IUPAC name of 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone (CID 166459819) is 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone.
What is the SMILES notation for 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone?
The canonical SMILES for 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone is CC(=O)N1CC2(CC(CN3CCC(c4cnc(C(C)C)nc4)CC3)C2)C1.
What is the InChIKey of 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone?
The InChIKey is FJAVJJMJPDZDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-15(2)20-22-10-19(11-23-20)18-4-6-24(7-5-18)12-17-8-21(9-17)13-25(14-21)16(3)26/h10-11,15,17-18H,4-9,12-14H2,1-3H3.
What are the key properties of 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone?
1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone has a molecular weight of 356.51 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone is sourced from PubChem (CID 166459819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).