N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide

C15H22N4O2 — CID 64681109

IUPACN-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCN(C)C(=O)C1
InChIInChI=1S/C15H22N4O2/c1-11-3-4-12(16)9-13(11)17-14(20)5-6-19-8-7-18(2)15(21)10-19/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,20)
InChIKeyKXXKAPPNPPXHKH-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.68
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide

N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide (PubChem CID 64681109) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide
PubChem CID64681109
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCN(C)C(=O)C1
InChIInChI=1S/C15H22N4O2/c1-11-3-4-12(16)9-13(11)17-14(20)5-6-19-8-7-18(2)15(21)10-19/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,20)
InChIKeyKXXKAPPNPPXHKH-UHFFFAOYSA-N
XLogP0.68
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.68
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-(5-amino-2-methylphenyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide (CID 64681109) is N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide is Cc1ccc(N)cc1NC(=O)CCN1CCN(C)C(=O)C1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide?
The InChIKey is KXXKAPPNPPXHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-3-4-12(16)9-13(11)17-14(20)5-6-19-8-7-18(2)15(21)10-19/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,20).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide?
N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide has a molecular weight of 290.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide is sourced from PubChem (CID 64681109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).