1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone

C24H33N5O2 — CID 126895414

IUPAC1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)C1
InChIInChI=1S/C24H33N5O2/c1-18(30)29-9-3-4-19(16-29)15-27-10-12-28(13-11-27)20-7-8-23-22(14-20)24(26-17-25-23)31-21-5-2-6-21/h7-8,14,17,19,21H,2-6,9-13,15-16H2,1H3
InChIKeyFKWGYGFEWWIHHJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.94
Rot. Bonds5

About 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone

1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 126895414) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID126895414
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)C1
InChIInChI=1S/C24H33N5O2/c1-18(30)29-9-3-4-19(16-29)15-27-10-12-28(13-11-27)20-7-8-23-22(14-20)24(26-17-25-23)31-21-5-2-6-21/h7-8,14,17,19,21H,2-6,9-13,15-16H2,1H3
InChIKeyFKWGYGFEWWIHHJ-UHFFFAOYSA-N
XLogP2.94
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126896189
4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 126895433
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 126895487
1-[2-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 126895187
4-cyclobutyloxy-6-[4-[(3-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895365
4-cyclopentyloxy-6-[4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]quinazoline
CID 126895527
4-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 126895551
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126895514
4-cyclobutyloxy-6-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]quinazoline
CID 126895391
1-[3-hydroxy-3-[[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]methyl]azepan-1-yl]ethanone
CID 126894924

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone (CID 126895414) is 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(CN2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)C1.
What is the InChIKey of 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is FKWGYGFEWWIHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-18(30)29-9-3-4-19(16-29)15-27-10-12-28(13-11-27)20-7-8-23-22(14-20)24(26-17-25-23)31-21-5-2-6-21/h7-8,14,17,19,21H,2-6,9-13,15-16H2,1H3.
What are the key properties of 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 423.56 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126895414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).