N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide

C21H32N2O3 — CID 108555615

IUPACN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide
SMILESCCOc1ccc(CC(=O)N2CCC(NC(=O)C(CC)CC)CC2)cc1
InChIInChI=1S/C21H32N2O3/c1-4-17(5-2)21(25)22-18-11-13-23(14-12-18)20(24)15-16-7-9-19(10-8-16)26-6-3/h7-10,17-18H,4-6,11-15H2,1-3H3,(H,22,25)
InChIKeyCCCCJQSMTKFBLF-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.17
Rot. Bonds8

About N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide

N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide (PubChem CID 108555615) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide
PubChem CID108555615
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide
SMILESCCOc1ccc(CC(=O)N2CCC(NC(=O)C(CC)CC)CC2)cc1
InChIInChI=1S/C21H32N2O3/c1-4-17(5-2)21(25)22-18-11-13-23(14-12-18)20(24)15-16-7-9-19(10-8-16)26-6-3/h7-10,17-18H,4-6,11-15H2,1-3H3,(H,22,25)
InChIKeyCCCCJQSMTKFBLF-UHFFFAOYSA-N
XLogP3.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dichloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108565559
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 119621601
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551512
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555618
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555920
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 137337548
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide?
The IUPAC name of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide (CID 108555615) is N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide?
The canonical SMILES for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide is CCOc1ccc(CC(=O)N2CCC(NC(=O)C(CC)CC)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide?
The InChIKey is CCCCJQSMTKFBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-17(5-2)21(25)22-18-11-13-23(14-12-18)20(24)15-16-7-9-19(10-8-16)26-6-3/h7-10,17-18H,4-6,11-15H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide?
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide has a molecular weight of 360.50 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide is sourced from PubChem (CID 108555615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).