1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one

C23H36N4O — CID 166458532

IUPAC1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CC(N1CCC(c3cnc(C(C)C)nc3)CC1)C2
InChIInChI=1S/C23H36N4O/c1-4-21(28)27-11-7-23(8-12-27)13-20(14-23)26-9-5-18(6-10-26)19-15-24-22(17(2)3)25-16-19/h15-18,20H,4-14H2,1-3H3
InChIKeyDCNRGTRDIKBRLI-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.96
Rot. Bonds4

About 1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one

1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one (PubChem CID 166458532) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
PubChem CID166458532
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CC(N1CCC(c3cnc(C(C)C)nc3)CC1)C2
InChIInChI=1S/C23H36N4O/c1-4-21(28)27-11-7-23(8-12-27)13-20(14-23)26-9-5-18(6-10-26)19-15-24-22(17(2)3)25-16-19/h15-18,20H,4-14H2,1-3H3
InChIKeyDCNRGTRDIKBRLI-UHFFFAOYSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[9-[4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-3-azaspiro[5.5]undecan-3-yl]propan-1-one
CID 166459456
1-[7-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]spiro[3.5]nonan-2-yl]ethanone
CID 166458469
5-(1-cyclohexylpiperidin-4-yl)-2-propan-2-ylpyrimidine;propan-2-ol
CID 166459295
ethane;2-methyl-5-(1-spiro[3.3]heptan-2-ylpiperidin-4-yl)pyrimidine;propanal
CID 170613616
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-[[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]methyl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
CID 170613507
5-[1-[4-(1-iodoethyl)cyclohexyl]piperidin-4-yl]-2-propan-2-ylpyrimidine
CID 170613883
ethyl 2-[4-(1,5-dimethylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295196
ethane;propanal;2-propan-2-yl-5-(4-spiro[3.3]heptan-2-ylpiperazin-1-yl)pyrimidine
CID 166458569
2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144853

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The IUPAC name of 1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one (CID 166458532) is 1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one.
What is the SMILES notation for 1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The canonical SMILES for 1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one is CCC(=O)N1CCC2(CC1)CC(N1CCC(c3cnc(C(C)C)nc3)CC1)C2.
What is the InChIKey of 1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The InChIKey is DCNRGTRDIKBRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-4-21(28)27-11-7-23(8-12-27)13-20(14-23)26-9-5-18(6-10-26)19-15-24-22(17(2)3)25-16-19/h15-18,20H,4-14H2,1-3H3.
What are the key properties of 1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one has a molecular weight of 384.57 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-propan-2-ylpyrimidin-5-yl)piperidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one is sourced from PubChem (CID 166458532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).