N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide

C15H23ClN4O — CID 29053524

IUPACN-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C15H23ClN4O/c1-2-19-7-9-20(10-8-19)6-5-15(21)18-12-3-4-13(16)14(17)11-12/h3-4,11H,2,5-10,17H2,1H3,(H,18,21)
InChIKeyGILMBLYLSBHQTB-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.89
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide

N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide (PubChem CID 29053524) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
PubChem CID29053524
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC NameN-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide
SMILESCCN1CCN(CCC(=O)Nc2ccc(Cl)c(N)c2)CC1
InChIInChI=1S/C15H23ClN4O/c1-2-19-7-9-20(10-8-19)6-5-15(21)18-12-3-4-13(16)14(17)11-12/h3-4,11H,2,5-10,17H2,1H3,(H,18,21)
InChIKeyGILMBLYLSBHQTB-UHFFFAOYSA-N
XLogP1.89
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-amino-4-chlorophenyl)decanamide
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N-(3-amino-4-chlorophenyl)-3-(2,6-dimethylpiperidin-1-yl)propanamide
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N-[3-(aminomethyl)phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
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N-(3-amino-4-chlorophenyl)-4-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106668037
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
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N-(3-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazol-1-yl)propanamide
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N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
CID 63605035
N-(3-amino-4-chlorophenyl)-2-(azepan-1-yl)acetamide
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CID 63595580

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide (CID 29053524) is N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide is CCN1CCN(CCC(=O)Nc2ccc(Cl)c(N)c2)CC1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
The InChIKey is GILMBLYLSBHQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-2-19-7-9-20(10-8-19)6-5-15(21)18-12-3-4-13(16)14(17)11-12/h3-4,11H,2,5-10,17H2,1H3,(H,18,21).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide?
N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide has a molecular weight of 310.83 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 29053524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).