(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide

C22H27FN4O2 — CID 9433591

IUPAC(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide
SMILESC[C@H](C(=O)N(C)c1ccccc1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C22H27FN4O2/c1-17(22(29)25(2)20-9-4-3-5-10-20)27-13-11-26(12-14-27)16-21(28)24-19-8-6-7-18(23)15-19/h3-10,15,17H,11-14,16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyRAGGUXVSHZMBPY-QGZVFWFLSA-N
MW398.48 g/mol
LogP2.43
Rot. Bonds6

About (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide

(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide (PubChem CID 9433591) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide
PubChem CID9433591
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide
SMILESC[C@H](C(=O)N(C)c1ccccc1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C22H27FN4O2/c1-17(22(29)25(2)20-9-4-3-5-10-20)27-13-11-26(12-14-27)16-21(28)24-19-8-6-7-18(23)15-19/h3-10,15,17H,11-14,16H2,1-2H3,(H,24,28)/t17-/m1/s1
InChIKeyRAGGUXVSHZMBPY-QGZVFWFLSA-N
XLogP2.43
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
2-[4-[2-(3-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55841889
2-[4-[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9433625
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
2-[4-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 60513249
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9044690
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-methyl-N-phenylpropanamide
CID 9433590
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 11931772
N-(3-fluorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8690682

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide (CID 9433591) is (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide is C[C@H](C(=O)N(C)c1ccccc1)N1CCN(CC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide?
The InChIKey is RAGGUXVSHZMBPY-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-17(22(29)25(2)20-9-4-3-5-10-20)27-13-11-26(12-14-27)16-21(28)24-19-8-6-7-18(23)15-19/h3-10,15,17H,11-14,16H2,1-2H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide?
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide has a molecular weight of 398.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 9433591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).