N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide

C23H28N2O4 — CID 108555351

IUPACN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C23H28N2O4/c1-3-28-20-9-4-5-10-21(20)29-16-22(26)25-13-11-19(12-14-25)24-23(27)18-8-6-7-17(2)15-18/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,24,27)
InChIKeyFMWJKBYETXRNTN-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.19
Rot. Bonds7

About N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide

N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide (PubChem CID 108555351) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
PubChem CID108555351
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C23H28N2O4/c1-3-28-20-9-4-5-10-21(20)29-16-22(26)25-13-11-19(12-14-25)24-23(27)18-8-6-7-17(2)15-18/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,24,27)
InChIKeyFMWJKBYETXRNTN-UHFFFAOYSA-N
XLogP3.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548529
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550593
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555353
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548705
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]-3-hydroxybenzamide
CID 108558293

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide?
The IUPAC name of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide (CID 108555351) is N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide is CCOc1ccccc1OCC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1.
What is the InChIKey of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide?
The InChIKey is FMWJKBYETXRNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-28-20-9-4-5-10-21(20)29-16-22(26)25-13-11-19(12-14-25)24-23(27)18-8-6-7-17(2)15-18/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide?
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide is sourced from PubChem (CID 108555351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).