2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide

C24H28N2O5 — CID 1437915

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H28N2O5/c1-2-29-20-6-4-3-5-19(20)25-23(27)16-26-11-9-17(10-12-26)24(28)18-7-8-21-22(15-18)31-14-13-30-21/h3-8,15,17H,2,9-14,16H2,1H3,(H,25,27)
InChIKeyBHFFBKBTYFMBEQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.39
Rot. Bonds7

About 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide

2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 1437915) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID1437915
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H28N2O5/c1-2-29-20-6-4-3-5-19(20)25-23(27)16-26-11-9-17(10-12-26)24(28)18-7-8-21-22(15-18)31-14-13-30-21/h3-8,15,17H,2,9-14,16H2,1H3,(H,25,27)
InChIKeyBHFFBKBTYFMBEQ-UHFFFAOYSA-N
XLogP3.39
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 18142968
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 42883794
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 26044080
2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26045091
N-(2,6-dichlorophenyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]acetamide
CID 26043935
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 3682627
N-butyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 87014819
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16910200
2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 113198740
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 1437915) is 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is BHFFBKBTYFMBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-2-29-20-6-4-3-5-19(20)25-23(27)16-26-11-9-17(10-12-26)24(28)18-7-8-21-22(15-18)31-14-13-30-21/h3-8,15,17H,2,9-14,16H2,1H3,(H,25,27).
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide?
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 424.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 1437915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).