N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide

C23H28N2O4 — CID 17492131

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccc(O)cc2)CC1)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H28N2O4/c26-20-4-2-18(3-5-20)19-8-11-25(12-9-19)16-23(27)24-10-7-17-1-6-21-22(15-17)29-14-13-28-21/h1-6,15,19,26H,7-14,16H2,(H,24,27)
InChIKeyZFGBERCUXSWRIV-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.70
Rot. Bonds6

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide (PubChem CID 17492131) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide
PubChem CID17492131
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccc(O)cc2)CC1)NCCc1ccc2c(c1)OCCO2
InChIInChI=1S/C23H28N2O4/c26-20-4-2-18(3-5-20)19-8-11-25(12-9-19)16-23(27)24-10-7-17-1-6-21-22(15-17)29-14-13-28-21/h1-6,15,19,26H,7-14,16H2,(H,24,27)
InChIKeyZFGBERCUXSWRIV-UHFFFAOYSA-N
XLogP2.70
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 16593579
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide;hydrochloride
CID 119266692
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-oxobutanoic acid
CID 9152135
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(methylamino)acetamide
CID 24694943
2-(azocan-1-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)acetamide
CID 91829779
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidine-1-carboxamide
CID 112831740
3-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide;hydrochloride
CID 119266691
2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40985153
N-benzyl-2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperazin-1-yl]acetamide
CID 16603881
2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide
CID 16668006
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 113217434

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide (CID 17492131) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide is O=C(CN1CCC(c2ccc(O)cc2)CC1)NCCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide?
The InChIKey is ZFGBERCUXSWRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c26-20-4-2-18(3-5-20)19-8-11-25(12-9-19)16-23(27)24-10-7-17-1-6-21-22(15-17)29-14-13-28-21/h1-6,15,19,26H,7-14,16H2,(H,24,27).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 17492131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).