4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride

C16H25ClN4O2 — CID 120608383

IUPAC4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(C(=O)CCc2ccccc2N)CC1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-2-18-16(22)20-11-9-19(10-12-20)15(21)8-7-13-5-3-4-6-14(13)17;/h3-6H,2,7-12,17H2,1H3,(H,18,22);1H
InChIKeySYIQCIOIKKZXMN-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.50
Rot. Bonds4

About 4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride

4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride (PubChem CID 120608383) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
PubChem CID120608383
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(C(=O)CCc2ccccc2N)CC1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-2-18-16(22)20-11-9-19(10-12-20)15(21)8-7-13-5-3-4-6-14(13)17;/h3-6H,2,7-12,17H2,1H3,(H,18,22);1H
InChIKeySYIQCIOIKKZXMN-UHFFFAOYSA-N
XLogP1.50
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(2-aminophenyl)-1-(4-benzoylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120608110
3-(2-aminophenyl)-1-(4,4-diethylpiperidin-1-yl)propan-1-one
CID 63162343
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CID 120612951
3-(2-aminophenyl)-1-[4-(4-fluorobenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120608667
1-[4-[3-(2-aminophenyl)propanoyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 120609476
3-(2-aminophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 120612183
3-(2-aminophenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 120612041
3-(2-aminophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]propan-1-one;dihydrochloride
CID 120612307
3-(2-aminophenyl)-1-[4-(3,3-dimethylbutyl)piperazin-1-yl]propan-1-one
CID 120612625
3-(2-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride (CID 120608383) is 4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride is CCNC(=O)N1CCN(C(=O)CCc2ccccc2N)CC1.Cl.
What is the InChIKey of 4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is SYIQCIOIKKZXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-2-18-16(22)20-11-9-19(10-12-20)15(21)8-7-13-5-3-4-6-14(13)17;/h3-6H,2,7-12,17H2,1H3,(H,18,22);1H.
What are the key properties of 4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride?
4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenyl)propanoyl]-N-ethylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120608383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).