N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

C23H26N2O6 — CID 108557321

IUPACN-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCCOc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C23H26N2O6/c1-2-28-18-4-6-19(7-5-18)29-14-22(26)25-11-9-17(10-12-25)24-23(27)16-3-8-20-21(13-16)31-15-30-20/h3-8,13,17H,2,9-12,14-15H2,1H3,(H,24,27)
InChIKeyTYNPAAVFKSYUJK-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.61
Rot. Bonds7

About N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide

N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 108557321) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID108557321
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC NameN-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESCCOc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C23H26N2O6/c1-2-28-18-4-6-19(7-5-18)29-14-22(26)25-11-9-17(10-12-25)24-23(27)16-3-8-20-21(13-16)31-15-30-20/h3-8,13,17H,2,9-12,14-15H2,1H3,(H,24,27)
InChIKeyTYNPAAVFKSYUJK-UHFFFAOYSA-N
XLogP2.61
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
[4-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108557245
methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
CID 110821823
4-ethoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108551932
[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108548636
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 7255304
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557265
N'-(1,3-benzodioxole-5-carbonyl)-1-(2-phenoxyacetyl)piperidine-4-carbohydrazide
CID 55631373
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide
CID 992710

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide (CID 108557321) is N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is CCOc1ccc(OCC(=O)N2CCC(NC(=O)c3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is TYNPAAVFKSYUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-2-28-18-4-6-19(7-5-18)29-14-22(26)25-11-9-17(10-12-25)24-23(27)16-3-8-20-21(13-16)31-15-30-20/h3-8,13,17H,2,9-12,14-15H2,1H3,(H,24,27).
What are the key properties of N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 108557321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).