N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide

C20H26N4O — CID 113220983

IUPACN-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N4O/c21-18-8-4-5-9-19(18)22-20(25)10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16,21H2,(H,22,25)
InChIKeyDAWFGRXMZXFYDA-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.42
Rot. Bonds6

About N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide

N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide (PubChem CID 113220983) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
PubChem CID113220983
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide
SMILESNc1ccccc1NC(=O)CCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H26N4O/c21-18-8-4-5-9-19(18)22-20(25)10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16,21H2,(H,22,25)
InChIKeyDAWFGRXMZXFYDA-UHFFFAOYSA-N
XLogP2.42
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.42
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

3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 1342605
N-(2-aminophenyl)-3-(4-cyclopropylpiperazin-1-yl)propanamide
CID 61439799
3-(4-benzylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 14762588
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 24589190
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 46518147
4-[3-(2-aminoanilino)-3-oxopropyl]-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
CID 171354343
N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 46551381

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide (CID 113220983) is N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide is Nc1ccccc1NC(=O)CCN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide?
The InChIKey is DAWFGRXMZXFYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c21-18-8-4-5-9-19(18)22-20(25)10-11-23-12-14-24(15-13-23)16-17-6-2-1-3-7-17/h1-9H,10-16,21H2,(H,22,25).
What are the key properties of N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide?
N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide has a molecular weight of 338.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(4-benzylpiperazin-1-yl)propanamide is sourced from PubChem (CID 113220983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).