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

C23H36N4O — CID 170613507

IUPAC2-methyl-1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
SMILESCC(C)C(=O)N1CC2(CC(CN3CCC(c4cnc(C(C)C)nc4)CC3)C2)C1
InChIInChI=1S/C23H36N4O/c1-16(2)21-24-11-20(12-25-21)19-5-7-26(8-6-19)13-18-9-23(10-18)14-27(15-23)22(28)17(3)4/h11-12,16-19H,5-10,13-15H2,1-4H3
InChIKeyPTUICUKDUIDMGN-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.67
Rot. Bonds5

About 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

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 (PubChem CID 170613507) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-methyl-1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
PubChem CID170613507
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name2-methyl-1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
SMILESCC(C)C(=O)N1CC2(CC(CN3CCC(c4cnc(C(C)C)nc4)CC3)C2)C1
InChIInChI=1S/C23H36N4O/c1-16(2)21-24-11-20(12-25-21)19-5-7-26(8-6-19)13-18-9-23(10-18)14-27(15-23)22(28)17(3)4/h11-12,16-19H,5-10,13-15H2,1-4H3
InChIKeyPTUICUKDUIDMGN-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

1-[6-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 166459819
2-methyl-1-[6-[(2S)-2-methyl-4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
CID 170612949
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-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone
CID 166458469
2-methyl-1-[4-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 166459386
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
phosphanylformaldehyde;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
CID 170613481
2-methylpropanal;2-propan-2-yl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine
CID 166458947
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
2-[1-(cyclohexylmethyl)piperidin-4-yl]-4-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136860306
5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol
CID 166459295
1-[4-[(3-aminocyclobutyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 172604246

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)N1CC2(CC(CN3CCC(c4cnc(C(C)C)nc4)CC3)C2)C1.
What is the InChIKey of 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?
The InChIKey is PTUICUKDUIDMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-16(2)21-24-11-20(12-25-21)19-5-7-26(8-6-19)13-18-9-23(10-18)14-27(15-23)22(28)17(3)4/h11-12,16-19H,5-10,13-15H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 384.57 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170613507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).