6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one

C18H23N5O — CID 126894338

IUPAC6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
SMILESO=C1CCCC(CN2CCN(c3ccc4ncncc4c3)CC2)N1
InChIInChI=1S/C18H23N5O/c24-18-3-1-2-15(21-18)12-22-6-8-23(9-7-22)16-4-5-17-14(10-16)11-19-13-20-17/h4-5,10-11,13,15H,1-3,6-9,12H2,(H,21,24)
InChIKeyJOMFFAWVBCORML-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.42
Rot. Bonds3

About 6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one

6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one (PubChem CID 126894338) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
PubChem CID126894338
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
SMILESO=C1CCCC(CN2CCN(c3ccc4ncncc4c3)CC2)N1
InChIInChI=1S/C18H23N5O/c24-18-3-1-2-15(21-18)12-22-6-8-23(9-7-22)16-4-5-17-14(10-16)11-19-13-20-17/h4-5,10-11,13,15H,1-3,6-9,12H2,(H,21,24)
InChIKeyJOMFFAWVBCORML-UHFFFAOYSA-N
XLogP1.42
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[4-(4-cyclobutyloxyquinazolin-6-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 126895349
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
1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894474
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
3-cyclopentyl-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898388
3-(2,2-difluoroethyl)-7-[4-[(6-oxopiperidin-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898061
4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
CID 126894463
6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894373
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 126894384
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 126894405
6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894515

Frequently Asked Questions

What is the IUPAC name of 6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one?
The IUPAC name of 6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one (CID 126894338) is 6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one.
What is the SMILES notation for 6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one?
The canonical SMILES for 6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one is O=C1CCCC(CN2CCN(c3ccc4ncncc4c3)CC2)N1.
What is the InChIKey of 6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one?
The InChIKey is JOMFFAWVBCORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18-3-1-2-15(21-18)12-22-6-8-23(9-7-22)16-4-5-17-14(10-16)11-19-13-20-17/h4-5,10-11,13,15H,1-3,6-9,12H2,(H,21,24).
What are the key properties of 6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one?
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one has a molecular weight of 325.42 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 126894338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).