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

C21H26FN3O2 — CID 9430316

IUPAC(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESCCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C21H26FN3O2/c1-3-27-20-10-5-4-9-19(20)25-13-11-24(12-14-25)16(2)21(26)23-18-8-6-7-17(22)15-18/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyIKUYXUAWLVHQBP-INIZCTEOSA-N
MW371.46 g/mol
LogP3.37
Rot. Bonds6

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

(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 9430316) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
PubChem CID9430316
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESCCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C21H26FN3O2/c1-3-27-20-10-5-4-9-19(20)25-13-11-24(12-14-25)16(2)21(26)23-18-8-6-7-17(22)15-18/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyIKUYXUAWLVHQBP-INIZCTEOSA-N
XLogP3.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 9430308
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 4824501
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9430320
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(2,4,6-trichlorophenyl)propanamide
CID 2537382
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 78754849
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 9430380
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574
(2R)-2-[4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401572
N-(3-chlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 46054199
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9430472
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide (CID 9430316) is (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide is CCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is IKUYXUAWLVHQBP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-3-27-20-10-5-4-9-19(20)25-13-11-24(12-14-25)16(2)21(26)23-18-8-6-7-17(22)15-18/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 371.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 9430316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).