6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one

C22H29N5O2 — CID 126895349

IUPAC6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
SMILESO=C1CCCC(CN2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)N1
InChIInChI=1S/C22H29N5O2/c28-21-6-1-3-16(25-21)14-26-9-11-27(12-10-26)17-7-8-20-19(13-17)22(24-15-23-20)29-18-4-2-5-18/h7-8,13,15-16,18H,1-6,9-12,14H2,(H,25,28)
InChIKeyPYOFAZGMGAFZOK-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.35
Rot. Bonds5

About 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one

6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one (PubChem CID 126895349) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
PubChem CID126895349
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
SMILESO=C1CCCC(CN2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)N1
InChIInChI=1S/C22H29N5O2/c28-21-6-1-3-16(25-21)14-26-9-11-27(12-10-26)17-7-8-20-19(13-17)22(24-15-23-20)29-18-4-2-5-18/h7-8,13,15-16,18H,1-6,9-12,14H2,(H,25,28)
InChIKeyPYOFAZGMGAFZOK-UHFFFAOYSA-N
XLogP2.35
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

7-[[4-(4-pyrrolidin-1-ylquinazolin-6-yl)piperazin-1-yl]methyl]azepan-2-one
CID 126896117
7-[[4-[4-(dimethylamino)quinazolin-6-yl]piperazin-1-yl]methyl]azepan-2-one
CID 126895768
4-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 126895433
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894338
1-[3-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126895414
6-[[4-(4-cyclopentyloxyquinazolin-6-yl)piperazin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126895572
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
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
3-(2,2-difluoroethyl)-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898061
3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898388

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one?
The IUPAC name of 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one (CID 126895349) is 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one is O=C1CCCC(CN2CCN(c3ccc4ncnc(OC5CCC5)c4c3)CC2)N1.
What is the InChIKey of 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one?
The InChIKey is PYOFAZGMGAFZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21-6-1-3-16(25-21)14-26-9-11-27(12-10-26)17-7-8-20-19(13-17)22(24-15-23-20)29-18-4-2-5-18/h7-8,13,15-16,18H,1-6,9-12,14H2,(H,25,28).
What are the key properties of 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one?
6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one has a molecular weight of 395.51 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 126895349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).