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

C14H19ClN4O2 — CID 64681530

IUPACN-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1N)N1CCN(C)C(=O)C1
InChIInChI=1S/C14H19ClN4O2/c1-9(19-6-5-18(2)13(20)8-19)14(21)17-12-4-3-10(15)7-11(12)16/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,21)
InChIKeyHRWSISPATUTHRE-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.02
Rot. Bonds3

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

N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide (PubChem CID 64681530) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
PubChem CID64681530
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1N)N1CCN(C)C(=O)C1
InChIInChI=1S/C14H19ClN4O2/c1-9(19-6-5-18(2)13(20)8-19)14(21)17-12-4-3-10(15)7-11(12)16/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,21)
InChIKeyHRWSISPATUTHRE-UHFFFAOYSA-N
XLogP1.02
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.02
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

N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16778971
4-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-1-methylpiperazin-2-one
CID 64695732
N-(2-amino-4-chlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)propanamide
CID 43592372
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956440
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide
CID 61428323
(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide
CID 7986989
N-(3-cyanophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64680347
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
N-(2-amino-4-chlorophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 16783732

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide (CID 64681530) is N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide is CC(C(=O)Nc1ccc(Cl)cc1N)N1CCN(C)C(=O)C1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide?
The InChIKey is HRWSISPATUTHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-9(19-6-5-18(2)13(20)8-19)14(21)17-12-4-3-10(15)7-11(12)16/h3-4,7,9H,5-6,8,16H2,1-2H3,(H,17,21).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide?
N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide has a molecular weight of 310.79 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-(4-methyl-3-oxopiperazin-1-yl)propanamide is sourced from PubChem (CID 64681530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).