2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one

C22H28N4O2 — CID 73369312

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one
SMILESCOc1cccc(N2CCN(C3NC(=O)CC(c4ccc(C)cc4)N3)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-16-6-8-17(9-7-16)20-15-21(27)24-22(23-20)26-12-10-25(11-13-26)18-4-3-5-19(14-18)28-2/h3-9,14,20,22-23H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyZEPQZJUHGHFJCN-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.26
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one

2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one (PubChem CID 73369312) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one
PubChem CID73369312
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one
SMILESCOc1cccc(N2CCN(C3NC(=O)CC(c4ccc(C)cc4)N3)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-16-6-8-17(9-7-16)20-15-21(27)24-22(23-20)26-12-10-25(11-13-26)18-4-3-5-19(14-18)28-2/h3-9,14,20,22-23H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyZEPQZJUHGHFJCN-UHFFFAOYSA-N
XLogP2.26
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
CID 78248250
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one
CID 85462091
1-(3-methoxyphenyl)-4-(6-methylpiperidin-3-yl)piperazine
CID 63158157
2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 43291800
(3R)-1-(4-methoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261246
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 21350625
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
5-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
CID 23048808
1-(3-methoxyphenyl)azepane
CID 57276431
4-(3-methoxyphenyl)piperazine-1-carbaldehyde
CID 22945750

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one (CID 73369312) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one is COc1cccc(N2CCN(C3NC(=O)CC(c4ccc(C)cc4)N3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one?
The InChIKey is ZEPQZJUHGHFJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-6-8-17(9-7-16)20-15-21(27)24-22(23-20)26-12-10-25(11-13-26)18-4-3-5-19(14-18)28-2/h3-9,14,20,22-23H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one has a molecular weight of 380.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one is sourced from PubChem (CID 73369312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).