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

C17H26N4O3 — CID 78697710

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
SMILESCOc1ccc(C2CC(=O)NC(N3CCN(CCO)CC3)N2)cc1
InChIInChI=1S/C17H26N4O3/c1-24-14-4-2-13(3-5-14)15-12-16(23)19-17(18-15)21-8-6-20(7-9-21)10-11-22/h2-5,15,17-18,22H,6-12H2,1H3,(H,19,23)
InChIKeyROTKEPVRDSAAIG-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.26
Rot. Bonds5

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

2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one (PubChem CID 78697710) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
PubChem CID78697710
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one
SMILESCOc1ccc(C2CC(=O)NC(N3CCN(CCO)CC3)N2)cc1
InChIInChI=1S/C17H26N4O3/c1-24-14-4-2-13(3-5-14)15-12-16(23)19-17(18-15)21-8-6-20(7-9-21)10-11-22/h2-5,15,17-18,22H,6-12H2,1H3,(H,19,23)
InChIKeyROTKEPVRDSAAIG-UHFFFAOYSA-N
XLogP-0.26
TPSA77.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)-1,3-diazinan-4-one
CID 73369312
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
2-(4-benzhydrylpiperazin-1-yl)-6-(4-fluorophenyl)-1,3-diazinan-4-one
CID 73369311
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 43393323
(3S)-1-(2,4-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 93235137
2-[(3R,5R)-4-(2-hydroxyethyl)-3,5-bis(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 139216494
1-(2-hydroxyethyl)-5-(4-methoxyphenyl)imidazolidin-2-one
CID 105497638
2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethanol;hydrochloride
CID 19808502
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108508178
4-(4-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 13427349
(2R,3R,6S)-2,6-bis(4-methoxyphenyl)-3-methylpiperidin-4-one
CID 7021020
(2S,3S)-3-hydroxy-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one
CID 139754382

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one (CID 78697710) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one is COc1ccc(C2CC(=O)NC(N3CCN(CCO)CC3)N2)cc1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one?
The InChIKey is ROTKEPVRDSAAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-24-14-4-2-13(3-5-14)15-12-16(23)19-17(18-15)21-8-6-20(7-9-21)10-11-22/h2-5,15,17-18,22H,6-12H2,1H3,(H,19,23).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one has a molecular weight of 334.42 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-6-(4-methoxyphenyl)-1,3-diazinan-4-one is sourced from PubChem (CID 78697710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).