N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide

C17H26FN3O2 — CID 111564930

IUPACN-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(CC(O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C17H26FN3O2/c1-3-19-17(23)12-21-8-6-20(7-9-21)11-16(22)15-5-4-14(18)10-13(15)2/h4-5,10,16,22H,3,6-9,11-12H2,1-2H3,(H,19,23)
InChIKeyNUYIVZPMYQECFR-UHFFFAOYSA-N
MW323.41 g/mol
LogP0.92
Rot. Bonds6

About N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide (PubChem CID 111564930) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide
PubChem CID111564930
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC NameN-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(CC(O)c2ccc(F)cc2C)CC1
InChIInChI=1S/C17H26FN3O2/c1-3-19-17(23)12-21-8-6-20(7-9-21)11-16(22)15-5-4-14(18)10-13(15)2/h4-5,10,16,22H,3,6-9,11-12H2,1-2H3,(H,19,23)
InChIKeyNUYIVZPMYQECFR-UHFFFAOYSA-N
XLogP0.92
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565203
1-(4-fluoro-2-methylphenyl)-2-[4-(4-methylcyclohexyl)piperazin-1-yl]ethanol
CID 111565154
1-(4-fluoro-2-methylphenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanol
CID 111564899
methyl 2-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-1,4-diazepan-1-yl]acetate
CID 111916316
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide
CID 111564989
2-[1-(carboxymethyl)-6-fluoroindol-3-yl]-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 45496088
2-[4-[(2R)-2-(2-bromo-4-fluorophenoxy)propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 51953347
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970
2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
N-ethyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]acetamide
CID 37307741

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide (CID 111564930) is N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(CC(O)c2ccc(F)cc2C)CC1.
What is the InChIKey of N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide?
The InChIKey is NUYIVZPMYQECFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-3-19-17(23)12-21-8-6-20(7-9-21)11-16(22)15-5-4-14(18)10-13(15)2/h4-5,10,16,22H,3,6-9,11-12H2,1-2H3,(H,19,23).
What are the key properties of N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide has a molecular weight of 323.41 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 111564930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).