N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C16H20N2O3 — CID 25161829

IUPACN-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1=COCCO1
InChIInChI=1S/C16H20N2O3/c19-16(15-12-20-10-11-21-15)17-13-6-2-3-7-14(13)18-8-4-1-5-9-18/h2-3,6-7,12H,1,4-5,8-11H2,(H,17,19)
InChIKeyULXPEEYWEPNAPG-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.50
Rot. Bonds3

About N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 25161829) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID25161829
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)C1=COCCO1
InChIInChI=1S/C16H20N2O3/c19-16(15-12-20-10-11-21-15)17-13-6-2-3-7-14(13)18-8-4-1-5-9-18/h2-3,6-7,12H,1,4-5,8-11H2,(H,17,19)
InChIKeyULXPEEYWEPNAPG-UHFFFAOYSA-N
XLogP2.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholineacetamide, N-phenyl-
CID 201328
2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetonitrile
CID 7178484
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24686035
N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 25162388
N-[2-(morpholin-4-yl)phenyl]acetamide
CID 826558
N-(2-morpholin-4-ylphenyl)hexanamide
CID 1798230
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2121211
3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 2411866
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2997786
N-Phenyl-2-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-yl)-acetamide
CID 3095230
N-cyclohexyl-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 7178338
N,N-diethyl-2-[(6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]acetamide
CID 7178389

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 25161829) is N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccccc1N1CCCCC1)C1=COCCO1.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is ULXPEEYWEPNAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-16(15-12-20-10-11-21-15)17-13-6-2-3-7-14(13)18-8-4-1-5-9-18/h2-3,6-7,12H,1,4-5,8-11H2,(H,17,19).
What are the key properties of N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 25161829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).