1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one

C19H25N5O — CID 126894474

IUPAC1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCN1CC(CN2CCN(c3ccc4ncncc4c3)CC2)CCC1=O
InChIInChI=1S/C19H25N5O/c1-22-12-15(2-5-19(22)25)13-23-6-8-24(9-7-23)17-3-4-18-16(10-17)11-20-14-21-18/h3-4,10-11,14-15H,2,5-9,12-13H2,1H3
InChIKeyGDUJIJUGVGRIPE-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.62
Rot. Bonds3

About 1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one

1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one (PubChem CID 126894474) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
PubChem CID126894474
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
SMILESCN1CC(CN2CCN(c3ccc4ncncc4c3)CC2)CCC1=O
InChIInChI=1S/C19H25N5O/c1-22-12-15(2-5-19(22)25)13-23-6-8-24(9-7-23)17-3-4-18-16(10-17)11-20-14-21-18/h3-4,10-11,14-15H,2,5-9,12-13H2,1H3
InChIKeyGDUJIJUGVGRIPE-UHFFFAOYSA-N
XLogP1.62
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]morpholin-3-one
CID 126894463
6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]quinazoline
CID 126894285
5-[[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126896557
1-methyl-5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]piperidin-2-one
CID 138383037
6-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one
CID 126894338
3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898477
5-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1-methylpiperidin-2-one
CID 139599572
5-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylmethyl)-1-methylpiperidin-2-one
CID 121160689
1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
CID 126887389
2-cyclopropyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 126894405
oxolan-2-yl-(4-quinazolin-6-ylpiperazin-1-yl)methanone
CID 126894159
6-[4-[(2-cyclobutylpyrimidin-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894373

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one (CID 126894474) is 1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one is CN1CC(CN2CCN(c3ccc4ncncc4c3)CC2)CCC1=O.
What is the InChIKey of 1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one?
The InChIKey is GDUJIJUGVGRIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22-12-15(2-5-19(22)25)13-23-6-8-24(9-7-23)17-3-4-18-16(10-17)11-20-14-21-18/h3-4,10-11,14-15H,2,5-9,12-13H2,1H3.
What are the key properties of 1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one?
1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-quinazolin-6-ylpiperazin-1-yl)methyl]piperidin-2-one is sourced from PubChem (CID 126894474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).