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

C20H32N4O2 — CID 85462091

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one
SMILESCOc1cccc(N2CCN(C3NC(=O)CC(CCC(C)C)N3)CC2)c1
InChIInChI=1S/C20H32N4O2/c1-15(2)7-8-16-13-19(25)22-20(21-16)24-11-9-23(10-12-24)17-5-4-6-18(14-17)26-3/h4-6,14-16,20-21H,7-13H2,1-3H3,(H,22,25)
InChIKeySRNOJWBYUWJJBY-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.02
Rot. Bonds6

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

2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one (PubChem CID 85462091) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one
PubChem CID85462091
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one
SMILESCOc1cccc(N2CCN(C3NC(=O)CC(CCC(C)C)N3)CC2)c1
InChIInChI=1S/C20H32N4O2/c1-15(2)7-8-16-13-19(25)22-20(21-16)24-11-9-23(10-12-24)17-5-4-6-18(14-17)26-3/h4-6,14-16,20-21H,7-13H2,1-3H3,(H,22,25)
InChIKeySRNOJWBYUWJJBY-UHFFFAOYSA-N
XLogP2.02
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one
CID 73369312
4-(3-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 86912572
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
6-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-diazinan-4-one
CID 78248250
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
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one (CID 85462091) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one is COc1cccc(N2CCN(C3NC(=O)CC(CCC(C)C)N3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one?
The InChIKey is SRNOJWBYUWJJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15(2)7-8-16-13-19(25)22-20(21-16)24-11-9-23(10-12-24)17-5-4-6-18(14-17)26-3/h4-6,14-16,20-21H,7-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(3-methylbutyl)-1,3-diazinan-4-one has a molecular weight of 360.50 g/mol, XLogP of 2.02, 6 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-(3-methylbutyl)-1,3-diazinan-4-one is sourced from PubChem (CID 85462091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).