N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide

C18H26FN3O2 — CID 8719224

IUPACN-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C[C@@H]2CCCCO2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c19-15-4-6-16(7-5-15)20-18(23)14-22-10-8-21(9-11-22)13-17-3-1-2-12-24-17/h4-7,17H,1-3,8-14H2,(H,20,23)/t17-/m0/s1
InChIKeyLMYCMUPIICTVRF-KRWDZBQOSA-N
MW335.42 g/mol
LogP1.95
Rot. Bonds5

About N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 8719224) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide
PubChem CID8719224
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C[C@@H]2CCCCO2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C18H26FN3O2/c19-15-4-6-16(7-5-15)20-18(23)14-22-10-8-21(9-11-22)13-17-3-1-2-12-24-17/h4-7,17H,1-3,8-14H2,(H,20,23)/t17-/m0/s1
InChIKeyLMYCMUPIICTVRF-KRWDZBQOSA-N
XLogP1.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 30638694
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[[(2S)-oxan-2-yl]methyl]azanium
CID 9252789
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8719210
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-(4-fluorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1091485
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 155980857
N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853
[4-(methylamino)phenyl]-[4-(oxan-2-ylmethyl)piperazin-1-yl]methanone
CID 139375674
1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110611235
(2S)-N-cyclohexyl-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51626907
N-(4-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8719101
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide (CID 8719224) is N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C[C@@H]2CCCCO2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is LMYCMUPIICTVRF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-15-4-6-16(7-5-15)20-18(23)14-22-10-8-21(9-11-22)13-17-3-1-2-12-24-17/h4-7,17H,1-3,8-14H2,(H,20,23)/t17-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 335.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8719224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).