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

C15H18N2O3 — CID 25162388

IUPACN-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)C1=COCCO1
InChIInChI=1S/C15H18N2O3/c18-15(14-11-19-9-10-20-14)16-12-5-1-2-6-13(12)17-7-3-4-8-17/h1-2,5-6,11H,3-4,7-10H2,(H,16,18)
InChIKeyFSSDMKRVPDXOSU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.11
Rot. Bonds3

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

N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 25162388) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID25162388
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)C1=COCCO1
InChIInChI=1S/C15H18N2O3/c18-15(14-11-19-9-10-20-14)16-12-5-1-2-6-13(12)17-7-3-4-8-17/h1-2,5-6,11H,3-4,7-10H2,(H,16,18)
InChIKeyFSSDMKRVPDXOSU-UHFFFAOYSA-N
XLogP2.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170542
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)oxolane-2-carboxamide
CID 25162018
N-[2-(morpholin-4-yl)phenyl]acetamide
CID 826558
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24982000
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 25161829
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 25163836
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17402424
N-cyclopentyl-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
CID 7178327
2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)-N-phenylacetamide
CID 7178268
N-(2-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 4517808
2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)-N-propylacetamide
CID 7178529

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 25162388) is N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccccc1N1CCCC1)C1=COCCO1.
What is the InChIKey of N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is FSSDMKRVPDXOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-15(14-11-19-9-10-20-14)16-12-5-1-2-6-13(12)17-7-3-4-8-17/h1-2,5-6,11H,3-4,7-10H2,(H,16,18).
What are the key properties of N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 25162388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).