2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide

C16H24FN3O2 — CID 56802234

IUPAC2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
SMILESCC(O)CN1CCN(C(C(N)=O)c2ccc(F)cc2)CC1C
InChIInChI=1S/C16H24FN3O2/c1-11-9-20(8-7-19(11)10-12(2)21)15(16(18)22)13-3-5-14(17)6-4-13/h3-6,11-12,15,21H,7-10H2,1-2H3,(H2,18,22)
InChIKeyRDAFNZFGVMKGIS-UHFFFAOYSA-N
MW309.38 g/mol
LogP0.74
Rot. Bonds5

About 2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide

2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide (PubChem CID 56802234) has the molecular formula C16H24FN3O2 and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
PubChem CID56802234
Molecular FormulaC16H24FN3O2
Molecular Weight309.38 g/mol
Exact Mass309.19
IUPAC Name2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
SMILESCC(O)CN1CCN(C(C(N)=O)c2ccc(F)cc2)CC1C
InChIInChI=1S/C16H24FN3O2/c1-11-9-20(8-7-19(11)10-12(2)21)15(16(18)22)13-3-5-14(17)6-4-13/h3-6,11-12,15,21H,7-10H2,1-2H3,(H2,18,22)
InChIKeyRDAFNZFGVMKGIS-UHFFFAOYSA-N
XLogP0.74
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
CID 83978130
(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 100838841
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one
CID 124778128
2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]-2-(4-methylphenyl)acetic acid
CID 83978333
(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 95309214
(2S)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95316608
1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
CID 63603808
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
4-bromo-2-fluoro-6-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]benzamide
CID 133441421
2-[(2R)-4-[(3-bromophenyl)-(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid
CID 68931684
(2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol
CID 124740064
(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 97312757

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide (CID 56802234) is 2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide is CC(O)CN1CCN(C(C(N)=O)c2ccc(F)cc2)CC1C.
What is the InChIKey of 2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is RDAFNZFGVMKGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-11-9-20(8-7-19(11)10-12(2)21)15(16(18)22)13-3-5-14(17)6-4-13/h3-6,11-12,15,21H,7-10H2,1-2H3,(H2,18,22).
What are the key properties of 2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide?
2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 309.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 56802234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).