2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride

C15H23Cl2FN4O2 — CID 119857266

IUPAC2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CN)CC1.Cl.Cl
InChIInChI=1S/C15H21FN4O2.2ClH/c1-11(15(22)18-13-4-2-3-12(16)9-13)19-5-7-20(8-6-19)14(21)10-17;;/h2-4,9,11H,5-8,10,17H2,1H3,(H,18,22);2*1H
InChIKeyOQBTVTHSBWBXHT-UHFFFAOYSA-N
MW381.28 g/mol
LogP1.10
Rot. Bonds4

About 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride

2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride (PubChem CID 119857266) has the molecular formula C15H23Cl2FN4O2 and a molecular weight of 381.28 g/mol. Its IUPAC name is 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
PubChem CID119857266
Molecular FormulaC15H23Cl2FN4O2
Molecular Weight381.28 g/mol
Exact Mass380.12
IUPAC Name2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
SMILESCC(C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CN)CC1.Cl.Cl
InChIInChI=1S/C15H21FN4O2.2ClH/c1-11(15(22)18-13-4-2-3-12(16)9-13)19-5-7-20(8-6-19)14(21)10-17;;/h2-4,9,11H,5-8,10,17H2,1H3,(H,18,22);2*1H
InChIKeyOQBTVTHSBWBXHT-UHFFFAOYSA-N
XLogP1.10
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 60555488
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 119857243
(2S)-N-(3-fluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 30737874
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride
CID 119857258
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
N-[2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-2-oxoethyl]-3,5-dimethylbenzamide
CID 60517261
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
(2R)-2-[4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401572
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
N-(3-fluorophenyl)-2-[4-[1-(2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 60513033

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride?
The IUPAC name of 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride (CID 119857266) is 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride?
The canonical SMILES for 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride is CC(C(=O)Nc1cccc(F)c1)N1CCN(C(=O)CN)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride?
The InChIKey is OQBTVTHSBWBXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2.2ClH/c1-11(15(22)18-13-4-2-3-12(16)9-13)19-5-7-20(8-6-19)14(21)10-17;;/h2-4,9,11H,5-8,10,17H2,1H3,(H,18,22);2*1H.
What are the key properties of 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride?
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride has a molecular weight of 381.28 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoacetyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide;dihydrochloride is sourced from PubChem (CID 119857266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).