3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide

C24H36N2O3 — CID 108555743

IUPAC3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C24H36N2O3/c1-2-20-10-6-7-11-22(20)29-18-24(28)26-16-14-21(15-17-26)25-23(27)13-12-19-8-4-3-5-9-19/h6-7,10-11,19,21H,2-5,8-9,12-18H2,1H3,(H,25,27)
InChIKeyCQOCMUVMDFFNQW-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.10
Rot. Bonds8

About 3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide

3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide (PubChem CID 108555743) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide
PubChem CID108555743
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Name3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide
SMILESCCc1ccccc1OCC(=O)N1CCC(NC(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C24H36N2O3/c1-2-20-10-6-7-11-22(20)29-18-24(28)26-16-14-21(15-17-26)25-23(27)13-12-19-8-4-3-5-9-19/h6-7,10-11,19,21H,2-5,8-9,12-18H2,1H3,(H,25,27)
InChIKeyCQOCMUVMDFFNQW-UHFFFAOYSA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556239
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552086
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557028
3-cyclohexyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 108555732
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
2-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550853
N-cyclopropyl-3-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 24790876
3-cyclohexyl-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555663
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185
2-(2-ethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 78760389

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide (CID 108555743) is 3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide is CCc1ccccc1OCC(=O)N1CCC(NC(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide?
The InChIKey is CQOCMUVMDFFNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-2-20-10-6-7-11-22(20)29-18-24(28)26-16-14-21(15-17-26)25-23(27)13-12-19-8-4-3-5-9-19/h6-7,10-11,19,21H,2-5,8-9,12-18H2,1H3,(H,25,27).
What are the key properties of 3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide?
3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide has a molecular weight of 400.56 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108555743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).