(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide

C18H28FN3O2 — CID 95342273

IUPAC(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
SMILESC[C@H](O)CN1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FN3O2/c1-14(23)13-21-9-11-22(12-10-21)15(2)18(24)20-8-7-16-3-5-17(19)6-4-16/h3-6,14-15,23H,7-13H2,1-2H3,(H,20,24)/t14-,15-/m0/s1
InChIKeyXLAPZZCGOXTJJA-GJZGRUSLSA-N
MW337.44 g/mol
LogP0.87
Rot. Bonds7

About (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide

(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide (PubChem CID 95342273) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
PubChem CID95342273
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
SMILESC[C@H](O)CN1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FN3O2/c1-14(23)13-21-9-11-22(12-10-21)15(2)18(24)20-8-7-16-3-5-17(19)6-4-16/h3-6,14-15,23H,7-13H2,1-2H3,(H,20,24)/t14-,15-/m0/s1
InChIKeyXLAPZZCGOXTJJA-GJZGRUSLSA-N
XLogP0.87
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342275
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 56802864
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 51629091
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide
CID 92762958
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42541977
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 55841512
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95610834
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565482

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide (CID 95342273) is (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide is C[C@H](O)CN1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide?
The InChIKey is XLAPZZCGOXTJJA-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-14(23)13-21-9-11-22(12-10-21)15(2)18(24)20-8-7-16-3-5-17(19)6-4-16/h3-6,14-15,23H,7-13H2,1-2H3,(H,20,24)/t14-,15-/m0/s1.
What are the key properties of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide?
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide has a molecular weight of 337.44 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 95342273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).