N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C22H25N3O4 — CID 42940797

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2COc3ccccc3O2)CC1)Nc1ccccc1
InChIInChI=1S/C22H25N3O4/c26-21(23-16-6-2-1-3-7-16)14-25-12-10-17(11-13-25)24-22(27)20-15-28-18-8-4-5-9-19(18)29-20/h1-9,17,20H,10-15H2,(H,23,26)(H,24,27)
InChIKeyKEGWQWHFEDGCQG-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.05
Rot. Bonds5

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 42940797) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID42940797
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2COc3ccccc3O2)CC1)Nc1ccccc1
InChIInChI=1S/C22H25N3O4/c26-21(23-16-6-2-1-3-7-16)14-25-12-10-17(11-13-25)24-22(27)20-15-28-18-8-4-5-9-19(18)29-20/h1-9,17,20H,10-15H2,(H,23,26)(H,24,27)
InChIKeyKEGWQWHFEDGCQG-UHFFFAOYSA-N
XLogP2.05
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 154737523
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
(3S)-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94191023
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119840351
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55671021
1-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-3-phenylurea
CID 55831982
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-(3-acetamidophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide
CID 43012142
3-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-phenylpropanamide
CID 30101273

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 42940797) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(CN1CCC(NC(=O)C2COc3ccccc3O2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is KEGWQWHFEDGCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-21(23-16-6-2-1-3-7-16)14-25-12-10-17(11-13-25)24-22(27)20-15-28-18-8-4-5-9-19(18)29-20/h1-9,17,20H,10-15H2,(H,23,26)(H,24,27).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 42940797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).