(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide

C15H20FN3O2 — CID 95587276

IUPAC(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H20FN3O2/c1-11(15(17)21)18-5-7-19(8-6-18)14(20)10-12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3,(H2,17,21)/t11-/m0/s1
InChIKeyMNYLZKJOFYRTCC-NSHDSACASA-N
MW293.34 g/mol
LogP0.39
Rot. Bonds4

About (2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide

(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide (PubChem CID 95587276) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
PubChem CID95587276
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide
SMILESC[C@@H](C(N)=O)N1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C15H20FN3O2/c1-11(15(17)21)18-5-7-19(8-6-18)14(20)10-12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3,(H2,17,21)/t11-/m0/s1
InChIKeyMNYLZKJOFYRTCC-NSHDSACASA-N
XLogP0.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propanamide
CID 110750502
2-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]propanamide
CID 110750504
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
2-[4-[(E)-4-(3-fluorophenyl)but-3-enoyl]piperazin-1-yl]propanamide
CID 75408302
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
1-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-2-(3-fluorophenyl)ethanone
CID 119306834
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]ethanethioamide
CID 63336015
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
(2S)-1-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl]-2-methylsulfanylpropan-1-one
CID 124609292

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide (CID 95587276) is (2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide is C[C@@H](C(N)=O)N1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of (2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
The InChIKey is MNYLZKJOFYRTCC-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-11(15(17)21)18-5-7-19(8-6-18)14(20)10-12-3-2-4-13(16)9-12/h2-4,9,11H,5-8,10H2,1H3,(H2,17,21)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide?
(2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide has a molecular weight of 293.34 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 95587276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).