N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide

C13H16N4O3 — CID 66083868

IUPACN-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C13H16N4O3/c1-8(17-6-11(18)16-12(19)7-17)13(20)15-10-4-2-3-9(14)5-10/h2-5,8H,6-7,14H2,1H3,(H,15,20)(H,16,18,19)
InChIKeyLZMQBRZHQDBBMF-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.45
Rot. Bonds3

About N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide

N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide (PubChem CID 66083868) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
PubChem CID66083868
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC NameN-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C13H16N4O3/c1-8(17-6-11(18)16-12(19)7-17)13(20)15-10-4-2-3-9(14)5-10/h2-5,8H,6-7,14H2,1H3,(H,15,20)(H,16,18,19)
InChIKeyLZMQBRZHQDBBMF-UHFFFAOYSA-N
XLogP-0.45
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
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N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
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N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(2-amino-4-fluorophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66084653
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide
CID 61427964
N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62122801

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide (CID 66083868) is N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide is CC(C(=O)Nc1cccc(N)c1)N1CC(=O)NC(=O)C1.
What is the InChIKey of N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide?
The InChIKey is LZMQBRZHQDBBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8(17-6-11(18)16-12(19)7-17)13(20)15-10-4-2-3-9(14)5-10/h2-5,8H,6-7,14H2,1H3,(H,15,20)(H,16,18,19).
What are the key properties of N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide?
N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide has a molecular weight of 276.30 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide is sourced from PubChem (CID 66083868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).