(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide

C21H26FN3O2 — CID 124514274

IUPAC(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(CCCO)CC1
InChIInChI=1S/C21H26FN3O2/c22-18-7-9-19(10-8-18)23-21(27)20(17-5-2-1-3-6-17)25-14-12-24(13-15-25)11-4-16-26/h1-3,5-10,20,26H,4,11-16H2,(H,23,27)/t20-/m1/s1
InChIKeyOSENRTQZZUCENP-HXUWFJFHSA-N
MW371.46 g/mol
LogP2.51
Rot. Bonds7

About (2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide

(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 124514274) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID124514274
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
SMILESO=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(CCCO)CC1
InChIInChI=1S/C21H26FN3O2/c22-18-7-9-19(10-8-18)23-21(27)20(17-5-2-1-3-6-17)25-14-12-24(13-15-25)11-4-16-26/h1-3,5-10,20,26H,4,11-16H2,(H,23,27)/t20-/m1/s1
InChIKeyOSENRTQZZUCENP-HXUWFJFHSA-N
XLogP2.51
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropoxy)piperidin-1-yl]-2-phenylacetamide
CID 124590924
(2S)-N-(4-fluorophenyl)-2-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]-2-phenylacetamide
CID 124607905
(2R)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774242
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 3431872
N-(4-fluorophenyl)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide
CID 53384111
(2S)-N-(4-fluorophenyl)-2-phenyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 41119333
2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
CID 82345138
N-(4-fluorophenyl)-2-[4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-1-yl]-2-phenylacetamide
CID 171716551
(2S)-N-(4-fluorophenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylacetamide
CID 124565294
1-[2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 43062016
N-(4-fluorophenyl)-2-[4-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperazin-1-yl]acetamide
CID 30734011

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide (CID 124514274) is (2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide is O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(CCCO)CC1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is OSENRTQZZUCENP-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26FN3O2/c22-18-7-9-19(10-8-18)23-21(27)20(17-5-2-1-3-6-17)25-14-12-24(13-15-25)11-4-16-26/h1-3,5-10,20,26H,4,11-16H2,(H,23,27)/t20-/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide?
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 371.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 124514274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).