N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide

C24H30N2O4 — CID 108551882

IUPACN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-4-29-21-9-6-19(7-10-21)24(28)25-20-11-13-26(14-12-20)23(27)16-30-22-8-5-17(2)18(3)15-22/h5-10,15,20H,4,11-14,16H2,1-3H3,(H,25,28)
InChIKeyIUDJHJPVETYCNT-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.50
Rot. Bonds7

About N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide

N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide (PubChem CID 108551882) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
PubChem CID108551882
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C24H30N2O4/c1-4-29-21-9-6-19(7-10-21)24(28)25-20-11-13-26(14-12-20)23(27)16-30-22-8-5-17(2)18(3)15-22/h5-10,15,20H,4,11-14,16H2,1-3H3,(H,25,28)
InChIKeyIUDJHJPVETYCNT-UHFFFAOYSA-N
XLogP3.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549110
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
4-ethoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108551932
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 108557321
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
2-cyano-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548368
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
4-tert-butyl-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554173
4-fluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 33009719
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide?
The IUPAC name of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide (CID 108551882) is N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide?
The InChIKey is IUDJHJPVETYCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-29-21-9-6-19(7-10-21)24(28)25-20-11-13-26(14-12-20)23(27)16-30-22-8-5-17(2)18(3)15-22/h5-10,15,20H,4,11-14,16H2,1-3H3,(H,25,28).
What are the key properties of N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide?
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide has a molecular weight of 410.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide is sourced from PubChem (CID 108551882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).