N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide

C18H23N3O4 — CID 18140443

IUPACN-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2=COCCO2)CC1)NCc1ccccc1
InChIInChI=1S/C18H23N3O4/c22-17(19-12-15-4-2-1-3-5-15)13-20-6-8-21(9-7-20)18(23)16-14-24-10-11-25-16/h1-5,14H,6-13H2,(H,19,22)
InChIKeyNMJJKAXYQXYZGJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.34
Rot. Bonds5

About N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide

N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 18140443) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID18140443
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2=COCCO2)CC1)NCc1ccccc1
InChIInChI=1S/C18H23N3O4/c22-17(19-12-15-4-2-1-3-5-15)13-20-6-8-21(9-7-20)18(23)16-14-24-10-11-25-16/h1-5,14H,6-13H2,(H,19,22)
InChIKeyNMJJKAXYQXYZGJ-UHFFFAOYSA-N
XLogP0.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
(4-Benzhydrylpiperazin-1-yl)-(2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 2088777
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-propylacetamide
CID 7293003
2-((6-((4-benzylpiperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-isopropylacetamide
CID 7293009
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-prop-2-enylacetamide
CID 7293033
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16548946
N-(2-phenylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18108680
(E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide
CID 44535363
2-(2,6-dimethylmorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4877762
N-benzyl-2-(2,6-dimethyl-4-morpholinyl)acetamide
CID 6467807
2-(2,6-dimethylmorpholin-4-yl)-N-(1-phenylethyl)acetamide
CID 6469831

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide (CID 18140443) is N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C2=COCCO2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is NMJJKAXYQXYZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-17(19-12-15-4-2-1-3-5-15)13-20-6-8-21(9-7-20)18(23)16-14-24-10-11-25-16/h1-5,14H,6-13H2,(H,19,22).
What are the key properties of N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide?
N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(2,3-dihydro-1,4-dioxine-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 18140443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).