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

C25H30N2O5 — CID 18142968

IUPAC2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C25H30N2O5/c1-2-13-30-21-6-4-3-5-20(21)26-24(28)17-27-11-9-18(10-12-27)25(29)19-7-8-22-23(16-19)32-15-14-31-22/h3-8,16,18H,2,9-15,17H2,1H3,(H,26,28)
InChIKeyFFTQGZGTVCSNPQ-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.78
Rot. Bonds8

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

2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide (PubChem CID 18142968) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
PubChem CID18142968
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C25H30N2O5/c1-2-13-30-21-6-4-3-5-20(21)26-24(28)17-27-11-9-18(10-12-27)25(29)19-7-8-22-23(16-19)32-15-14-31-22/h3-8,16,18H,2,9-15,17H2,1H3,(H,26,28)
InChIKeyFFTQGZGTVCSNPQ-UHFFFAOYSA-N
XLogP3.78
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.78
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-ethoxyphenyl)acetamide
CID 1437915
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-propoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 26897998
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 3682627
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18142936
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24585994
N-butyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 87014819
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 18226789
ethyl (2S)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanoate
CID 95187154

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide (CID 18142968) is 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=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-propoxyphenyl)acetamide?
The InChIKey is FFTQGZGTVCSNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-2-13-30-21-6-4-3-5-20(21)26-24(28)17-27-11-9-18(10-12-27)25(29)19-7-8-22-23(16-19)32-15-14-31-22/h3-8,16,18H,2,9-15,17H2,1H3,(H,26,28).
What are the key properties of 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide?
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(2-propoxyphenyl)acetamide has a molecular weight of 438.52 g/mol, XLogP of 3.78, 8 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-propoxyphenyl)acetamide is sourced from PubChem (CID 18142968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).