1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone

C17H24N2O4 — CID 74249525

IUPAC1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1CN1CCN(C(=O)C2COCCO2)CC1
InChIInChI=1S/C17H24N2O4/c1-21-15-5-3-2-4-14(15)12-18-6-8-19(9-7-18)17(20)16-13-22-10-11-23-16/h2-5,16H,6-13H2,1H3
InChIKeyGQDOLKWENVNHGE-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.75
Rot. Bonds4

About 1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone

1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 74249525) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID74249525
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1CN1CCN(C(=O)C2COCCO2)CC1
InChIInChI=1S/C17H24N2O4/c1-21-15-5-3-2-4-14(15)12-18-6-8-19(9-7-18)17(20)16-13-22-10-11-23-16/h2-5,16H,6-13H2,1H3
InChIKeyGQDOLKWENVNHGE-UHFFFAOYSA-N
XLogP0.75
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
[5-(aminomethyl)oxolan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 169493694
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 47010572
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 119876147
(4-ethylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 163328426
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-1,4-dioxan-2-yl]methanone
CID 94164485
N-[(2-methoxyphenyl)methyl]-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 50973366
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119876135
[(2S)-6-benzoyl-6-azaspiro[2.5]octan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 125162163
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
(2S)-2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119876162

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of 1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone (CID 74249525) is 1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for 1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone is COc1ccccc1CN1CCN(C(=O)C2COCCO2)CC1.
What is the InChIKey of 1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is GQDOLKWENVNHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-15-5-3-2-4-14(15)12-18-6-8-19(9-7-18)17(20)16-13-22-10-11-23-16/h2-5,16H,6-13H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone?
1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 320.39 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 74249525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).