2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride

C20H34Cl2N4O3 — CID 120670161

IUPAC2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
SMILESCOCCCNC(=O)C(C)N1CCN(C(=O)C(N)c2ccc(C)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H32N4O3.2ClH/c1-15-5-7-17(8-6-15)18(21)20(26)24-12-10-23(11-13-24)16(2)19(25)22-9-4-14-27-3;;/h5-8,16,18H,4,9-14,21H2,1-3H3,(H,22,25);2*1H
InChIKeyUISZBNBVDGMZND-UHFFFAOYSA-N
MW449.42 g/mol
LogP1.52
Rot. Bonds8

About 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride

2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride (PubChem CID 120670161) has the molecular formula C20H34Cl2N4O3 and a molecular weight of 449.42 g/mol. Its IUPAC name is 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
PubChem CID120670161
Molecular FormulaC20H34Cl2N4O3
Molecular Weight449.42 g/mol
Exact Mass448.20
IUPAC Name2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
SMILESCOCCCNC(=O)C(C)N1CCN(C(=O)C(N)c2ccc(C)cc2)CC1.Cl.Cl
InChIInChI=1S/C20H32N4O3.2ClH/c1-15-5-7-17(8-6-15)18(21)20(26)24-12-10-23(11-13-24)16(2)19(25)22-9-4-14-27-3;;/h5-8,16,18H,4,9-14,21H2,1-3H3,(H,22,25);2*1H
InChIKeyUISZBNBVDGMZND-UHFFFAOYSA-N
XLogP1.52
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
CID 120704343
4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 120667255
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 120596528
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348
1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide
CID 120667354
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202
2-[4-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 120646246
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 110898270
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
CID 119877454

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride?
The IUPAC name of 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride (CID 120670161) is 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride?
The canonical SMILES for 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride is COCCCNC(=O)C(C)N1CCN(C(=O)C(N)c2ccc(C)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride?
The InChIKey is UISZBNBVDGMZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3.2ClH/c1-15-5-7-17(8-6-15)18(21)20(26)24-12-10-23(11-13-24)16(2)19(25)22-9-4-14-27-3;;/h5-8,16,18H,4,9-14,21H2,1-3H3,(H,22,25);2*1H.
What are the key properties of 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride?
2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride has a molecular weight of 449.42 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride is sourced from PubChem (CID 120670161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).