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

C24H30N2O6 — CID 108550593

IUPACN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C24H30N2O6/c1-4-31-21-7-5-6-8-22(21)32-16-23(27)26-11-9-18(10-12-26)25-24(28)17-13-19(29-2)15-20(14-17)30-3/h5-8,13-15,18H,4,9-12,16H2,1-3H3,(H,25,28)
InChIKeyISHZTCPHYMMMMH-UHFFFAOYSA-N
MW442.51 g/mol
LogP2.90
Rot. Bonds9

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

N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide (PubChem CID 108550593) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
PubChem CID108550593
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC NameN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C24H30N2O6/c1-4-31-21-7-5-6-8-22(21)32-16-23(27)26-11-9-18(10-12-26)25-24(28)17-13-19(29-2)15-20(14-17)30-3/h5-8,13-15,18H,4,9-12,16H2,1-3H3,(H,25,28)
InChIKeyISHZTCPHYMMMMH-UHFFFAOYSA-N
XLogP2.90
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548529
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548705
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549679
2-ethyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555633
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564964
(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide (CID 108550593) is N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide is CCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide?
The InChIKey is ISHZTCPHYMMMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-4-31-21-7-5-6-8-22(21)32-16-23(27)26-11-9-18(10-12-26)25-24(28)17-13-19(29-2)15-20(14-17)30-3/h5-8,13-15,18H,4,9-12,16H2,1-3H3,(H,25,28).
What are the key properties of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide?
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide has a molecular weight of 442.51 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 108550593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).