N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide

C25H33FN2O3 — CID 110162277

IUPACN-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CC[C@@](O)(CC(C)C)[C@@H](Oc2ccc(F)cc2)C1
InChIInChI=1S/C25H33FN2O3/c1-4-19-7-5-6-8-22(19)27-24(29)17-28-14-13-25(30,15-18(2)3)23(16-28)31-21-11-9-20(26)10-12-21/h5-12,18,23,30H,4,13-17H2,1-3H3,(H,27,29)/t23-,25+/m0/s1
InChIKeyJGRSBNZBVWOGSK-UKILVPOCSA-N
MW428.55 g/mol
LogP4.26
Rot. Bonds8

About N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide

N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide (PubChem CID 110162277) has the molecular formula C25H33FN2O3 and a molecular weight of 428.55 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide
PubChem CID110162277
Molecular FormulaC25H33FN2O3
Molecular Weight428.55 g/mol
Exact Mass428.25
IUPAC NameN-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CC[C@@](O)(CC(C)C)[C@@H](Oc2ccc(F)cc2)C1
InChIInChI=1S/C25H33FN2O3/c1-4-19-7-5-6-8-22(19)27-24(29)17-28-14-13-25(30,15-18(2)3)23(16-28)31-21-11-9-20(26)10-12-21/h5-12,18,23,30H,4,13-17H2,1-3H3,(H,27,29)/t23-,25+/m0/s1
InChIKeyJGRSBNZBVWOGSK-UKILVPOCSA-N
XLogP4.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]acetamide
CID 110162273
N-[2-(difluoromethoxy)phenyl]-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
CID 110162405
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(3S,4S)-4-hydroxy-4-pentyl-3-phenoxypiperidin-1-yl]acetamide
CID 110167434
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(5-fluoro-2-methylphenyl)-2-[(3S,4S)-3-(3-fluorophenoxy)-4-hydroxy-4-methylpiperidin-1-yl]acetamide
CID 110162295
2-[(3S,4S)-4-hydroxy-4-pentyl-3-phenoxypiperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110167420
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55431745
N-[2-(aminomethyl)phenyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115965021
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
(3S,4S)-1-[2-(2-ethylanilino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954144
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide (CID 110162277) is N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CC[C@@](O)(CC(C)C)[C@@H](Oc2ccc(F)cc2)C1.
What is the InChIKey of N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide?
The InChIKey is JGRSBNZBVWOGSK-UKILVPOCSA-N. The full InChI is InChI=1S/C25H33FN2O3/c1-4-19-7-5-6-8-22(19)27-24(29)17-28-14-13-25(30,15-18(2)3)23(16-28)31-21-11-9-20(26)10-12-21/h5-12,18,23,30H,4,13-17H2,1-3H3,(H,27,29)/t23-,25+/m0/s1.
What are the key properties of N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide has a molecular weight of 428.55 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 110162277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).