N-(4-aminophenyl)-2-piperazin-1-ylpropanamide

C13H20N4O — CID 82224554

IUPACN-(4-aminophenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(N)cc1)N1CCNCC1
InChIInChI=1S/C13H20N4O/c1-10(17-8-6-15-7-9-17)13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9,14H2,1H3,(H,16,18)
InChIKeyGXKPCXMUAJOSHZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.50
Rot. Bonds3

About N-(4-aminophenyl)-2-piperazin-1-ylpropanamide

N-(4-aminophenyl)-2-piperazin-1-ylpropanamide (PubChem CID 82224554) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-piperazin-1-ylpropanamide
PubChem CID82224554
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(4-aminophenyl)-2-piperazin-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(N)cc1)N1CCNCC1
InChIInChI=1S/C13H20N4O/c1-10(17-8-6-15-7-9-17)13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9,14H2,1H3,(H,16,18)
InChIKeyGXKPCXMUAJOSHZ-UHFFFAOYSA-N
XLogP0.50
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
N-(4-methylsulfonylphenyl)-2-piperazin-1-ylpropanamide
CID 43130677
N-[4-(2-hydroxyethyl)phenyl]-2-piperazin-1-ylpropanamide
CID 61237892
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
(2R)-2-piperazin-1-yl-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 172616564
N-(4-aminophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)propanamide
CID 107453563
(2S)-N-(3-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 28507016
2-piperazin-1-yl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82795400
N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 63214737
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
N-(1,2-oxazol-3-yl)-2-piperazin-1-ylpropanamide
CID 62913788

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-aminophenyl)-2-piperazin-1-ylpropanamide (CID 82224554) is N-(4-aminophenyl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-2-piperazin-1-ylpropanamide is CC(C(=O)Nc1ccc(N)cc1)N1CCNCC1.
What is the InChIKey of N-(4-aminophenyl)-2-piperazin-1-ylpropanamide?
The InChIKey is GXKPCXMUAJOSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(17-8-6-15-7-9-17)13(18)16-12-4-2-11(14)3-5-12/h2-5,10,15H,6-9,14H2,1H3,(H,16,18).
What are the key properties of N-(4-aminophenyl)-2-piperazin-1-ylpropanamide?
N-(4-aminophenyl)-2-piperazin-1-ylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 82224554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).