(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

C17H26FN3O2 — CID 51629091

IUPAC(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C17H26FN3O2/c1-14(21-10-8-20(9-11-21)12-13-22)17(23)19-7-6-15-2-4-16(18)5-3-15/h2-5,14,22H,6-13H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyZZWRGPPDYCTYEJ-CQSZACIVSA-N
MW323.41 g/mol
LogP0.48
Rot. Bonds7

About (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 51629091) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID51629091
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C17H26FN3O2/c1-14(21-10-8-20(9-11-21)12-13-22)17(23)19-7-6-15-2-4-16(18)5-3-15/h2-5,14,22H,6-13H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyZZWRGPPDYCTYEJ-CQSZACIVSA-N
XLogP0.48
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide
CID 92762958
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342273
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342275
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide
CID 110884150
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 110880118
(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
1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42541977
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 51629091) is (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is C[C@H](C(=O)NCCc1ccc(F)cc1)N1CCN(CCO)CC1.
What is the InChIKey of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is ZZWRGPPDYCTYEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-14(21-10-8-20(9-11-21)12-13-22)17(23)19-7-6-15-2-4-16(18)5-3-15/h2-5,14,22H,6-13H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 323.41 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51629091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).