(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide

C17H27FN4O — CID 119902822

IUPAC(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide
SMILESCCN1CCN(c2ccc(F)cc2C(C)NC(=O)[C@@H](C)N)CC1
InChIInChI=1S/C17H27FN4O/c1-4-21-7-9-22(10-8-21)16-6-5-14(18)11-15(16)13(3)20-17(23)12(2)19/h5-6,11-13H,4,7-10,19H2,1-3H3,(H,20,23)/t12-,13?/m1/s1
InChIKeyWKAFXVRGOLLKCG-PZORYLMUSA-N
MW322.43 g/mol
LogP1.49
Rot. Bonds5

About (2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide

(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide (PubChem CID 119902822) has the molecular formula C17H27FN4O and a molecular weight of 322.43 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide
PubChem CID119902822
Molecular FormulaC17H27FN4O
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC Name(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide
SMILESCCN1CCN(c2ccc(F)cc2C(C)NC(=O)[C@@H](C)N)CC1
InChIInChI=1S/C17H27FN4O/c1-4-21-7-9-22(10-8-21)16-6-5-14(18)11-15(16)13(3)20-17(23)12(2)19/h5-6,11-13H,4,7-10,19H2,1-3H3,(H,20,23)/t12-,13?/m1/s1
InChIKeyWKAFXVRGOLLKCG-PZORYLMUSA-N
XLogP1.49
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-3-pyridin-2-ylurea
CID 52516092
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(4-fluorophenyl)methyl]ethanamine
CID 119122933
N'-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 86875840
(2R)-N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylsulfanylpropanamide
CID 94818363
5-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86890436
N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]oxolan-3-amine
CID 75427924
N-[(1S)-1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 97088185
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]prop-2-enamide
CID 60613622
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110922301
2-[4-[2-(1-aminoethyl)-4-fluorophenyl]piperazin-1-yl]ethanol
CID 43592142
1-ethyl-3-[(1R)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]urea
CID 95760153
(1S)-1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 96563094

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide (CID 119902822) is (2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide is CCN1CCN(c2ccc(F)cc2C(C)NC(=O)[C@@H](C)N)CC1.
What is the InChIKey of (2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide?
The InChIKey is WKAFXVRGOLLKCG-PZORYLMUSA-N. The full InChI is InChI=1S/C17H27FN4O/c1-4-21-7-9-22(10-8-21)16-6-5-14(18)11-15(16)13(3)20-17(23)12(2)19/h5-6,11-13H,4,7-10,19H2,1-3H3,(H,20,23)/t12-,13?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide?
(2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide has a molecular weight of 322.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]propanamide is sourced from PubChem (CID 119902822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).