2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride

C18H28Cl2N4O2 — CID 119839030

IUPAC2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-13(18(24)20-16-6-7-16)21-8-10-22(11-9-21)17(23)12-14-2-4-15(19)5-3-14;;/h2-5,13,16H,6-12,19H2,1H3,(H,20,24);2*1H
InChIKeyGONHAKQOYJYGIH-UHFFFAOYSA-N
MW403.35 g/mol
LogP1.47
Rot. Bonds5

About 2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride

2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride (PubChem CID 119839030) has the molecular formula C18H28Cl2N4O2 and a molecular weight of 403.35 g/mol. Its IUPAC name is 2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
PubChem CID119839030
Molecular FormulaC18H28Cl2N4O2
Molecular Weight403.35 g/mol
Exact Mass402.16
IUPAC Name2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C18H26N4O2.2ClH/c1-13(18(24)20-16-6-7-16)21-8-10-22(11-9-21)17(23)12-14-2-4-15(19)5-3-14;;/h2-5,13,16H,6-12,19H2,1H3,(H,20,24);2*1H
InChIKeyGONHAKQOYJYGIH-UHFFFAOYSA-N
XLogP1.47
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
2-(4-aminophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119843176
(2S)-N-cyclopentyl-2-[4-[2-(6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]propanamide
CID 98445857
N-cyclopropyl-2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 86918070
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 51299654
N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 46444767
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119702473
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
CID 51299602

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride?
The IUPAC name of 2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride (CID 119839030) is 2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride?
The canonical SMILES for 2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride is CC(C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc(N)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride?
The InChIKey is GONHAKQOYJYGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2ClH/c1-13(18(24)20-16-6-7-16)21-8-10-22(11-9-21)17(23)12-14-2-4-15(19)5-3-14;;/h2-5,13,16H,6-12,19H2,1H3,(H,20,24);2*1H.
What are the key properties of 2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride?
2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-aminophenyl)acetyl]piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride is sourced from PubChem (CID 119839030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).