3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one

C20H27N5O2 — CID 126895204

IUPAC3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
SMILESCC(C)Oc1ncnc2ccc(N3CCN(C4CCCNC4=O)CC3)cc12
InChIInChI=1S/C20H27N5O2/c1-14(2)27-20-16-12-15(5-6-17(16)22-13-23-20)24-8-10-25(11-9-24)18-4-3-7-21-19(18)26/h5-6,12-14,18H,3-4,7-11H2,1-2H3,(H,21,26)
InChIKeyNTBDGCAGELQPEP-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.82
Rot. Bonds4

About 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one

3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one (PubChem CID 126895204) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
PubChem CID126895204
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one
SMILESCC(C)Oc1ncnc2ccc(N3CCN(C4CCCNC4=O)CC3)cc12
InChIInChI=1S/C20H27N5O2/c1-14(2)27-20-16-12-15(5-6-17(16)22-13-23-20)24-8-10-25(11-9-24)18-4-3-7-21-19(18)26/h5-6,12-14,18H,3-4,7-11H2,1-2H3,(H,21,26)
InChIKeyNTBDGCAGELQPEP-UHFFFAOYSA-N
XLogP1.82
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]pyrrolidin-2-one
CID 126894874
3-[4-[4-(2,2-difluoroethoxy)quinazolin-6-yl]piperazin-1-yl]pyrrolidin-2-one
CID 126896553
6-(4-methylpiperazin-1-yl)-4-propan-2-yloxyquinazoline
CID 126895251
1-methyl-5-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 126895198
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126895037
6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-4-propan-2-yloxyquinazoline
CID 126895043
5-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 126894994
2,5-dimethyl-6-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-4-one
CID 126895258
3-(2-methoxyethyl)-7-[4-(2-oxoazepan-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126899193
5-cyclobutyl-3-[[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126895138
2-methyl-4-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 126895263
(5-methyl-1,2-oxazol-3-yl)-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]methanone
CID 126894977

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one?
The IUPAC name of 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one (CID 126895204) is 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one.
What is the SMILES notation for 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one?
The canonical SMILES for 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one is CC(C)Oc1ncnc2ccc(N3CCN(C4CCCNC4=O)CC3)cc12.
What is the InChIKey of 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one?
The InChIKey is NTBDGCAGELQPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)27-20-16-12-15(5-6-17(16)22-13-23-20)24-8-10-25(11-9-24)18-4-3-7-21-19(18)26/h5-6,12-14,18H,3-4,7-11H2,1-2H3,(H,21,26).
What are the key properties of 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one?
3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-propan-2-yloxyquinazolin-6-yl)piperazin-1-yl]piperidin-2-one is sourced from PubChem (CID 126895204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).