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

C18H28FN3O2 — CID 92762958

IUPAC(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide
SMILESCOCCN1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FN3O2/c1-15(22-11-9-21(10-12-22)13-14-24-2)18(23)20-8-7-16-3-5-17(19)6-4-16/h3-6,15H,7-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyXLADUNIJBMRQIY-HNNXBMFYSA-N
MW337.44 g/mol
LogP1.14
Rot. Bonds8

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

(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide (PubChem CID 92762958) 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-(2-methoxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide
PubChem CID92762958
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide
SMILESCOCCN1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FN3O2/c1-15(22-11-9-21(10-12-22)13-14-24-2)18(23)20-8-7-16-3-5-17(19)6-4-16/h3-6,15H,7-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyXLADUNIJBMRQIY-HNNXBMFYSA-N
XLogP1.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 51629091
(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
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 8688217
(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
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 56802864
1-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-N-methylpiperidine-4-carboxamide
CID 42541977
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 78754849
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 56809559
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide (CID 92762958) is (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide is COCCN1CCN([C@@H](C)C(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide?
The InChIKey is XLADUNIJBMRQIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-15(22-11-9-21(10-12-22)13-14-24-2)18(23)20-8-7-16-3-5-17(19)6-4-16/h3-6,15H,7-14H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide?
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]propanamide has a molecular weight of 337.44 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 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-(2-methoxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 92762958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).