N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride

C19H26Cl2N4O2 — CID 175654262

IUPACN-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C19H24N4O2.2ClH/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)14-19(24)21-16-8-6-15(20)7-9-16;;/h2-9H,10-14,20H2,1H3,(H,21,24);2*1H
InChIKeyXKBBNDFMHONPJL-UHFFFAOYSA-N
MW413.35 g/mol
LogP2.88
Rot. Bonds5

About N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride

N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 175654262) has the molecular formula C19H26Cl2N4O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID175654262
Molecular FormulaC19H26Cl2N4O2
Molecular Weight413.35 g/mol
Exact Mass412.14
IUPAC NameN-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C19H24N4O2.2ClH/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)14-19(24)21-16-8-6-15(20)7-9-16;;/h2-9H,10-14,20H2,1H3,(H,21,24);2*1H
InChIKeyXKBBNDFMHONPJL-UHFFFAOYSA-N
XLogP2.88
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653660
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264838
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653668
N-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109029533
N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703707
N-(2-acetamidoethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 36845006
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide
CID 57188143
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-methylbutanamide
CID 112984474
4-chloro-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzoic acid
CID 15840975

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride (CID 175654262) is N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride is COc1ccccc1N1CCN(CC(=O)Nc2ccc(N)cc2)CC1.Cl.Cl.
What is the InChIKey of N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is XKBBNDFMHONPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.2ClH/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)14-19(24)21-16-8-6-15(20)7-9-16;;/h2-9H,10-14,20H2,1H3,(H,21,24);2*1H.
What are the key properties of N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride?
N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 413.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 175654262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).