N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide

C14H20N4O2 — CID 63602156

IUPACN-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
SMILESCCC1C(=O)NCCN1CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H20N4O2/c1-2-12-14(20)16-7-8-18(12)9-13(19)17-11-5-3-10(15)4-6-11/h3-6,12H,2,7-9,15H2,1H3,(H,16,20)(H,17,19)
InChIKeyATGYDQFHGFCSEP-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.42
Rot. Bonds4

About N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide

N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide (PubChem CID 63602156) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
PubChem CID63602156
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
SMILESCCC1C(=O)NCCN1CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H20N4O2/c1-2-12-14(20)16-7-8-18(12)9-13(19)17-11-5-3-10(15)4-6-11/h3-6,12H,2,7-9,15H2,1H3,(H,16,20)(H,17,19)
InChIKeyATGYDQFHGFCSEP-UHFFFAOYSA-N
XLogP0.42
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.42
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

butyl 2-[1-[2-(4-butoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822905
N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602687
propyl 2-[1-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819756
ethyl 4-[[2-[(2R)-2-(2-methoxy-2-oxoethyl)-3-oxopiperazin-1-yl]acetyl]amino]benzoate
CID 8561303
butyl 2-[1-[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54823089
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
CID 63596455
2-methylpropyl 2-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822241
propyl 2-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819883
methyl 4-[[2-[2-[2-(2-methylpropoxy)-2-oxoethyl]-3-oxopiperazin-1-yl]acetyl]amino]benzoate
CID 54822665
N-[4-(aminomethyl)phenyl]-2-ethyl-3-oxopiperazine-1-carboxamide
CID 63604915

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide (CID 63602156) is N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide is CCC1C(=O)NCCN1CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide?
The InChIKey is ATGYDQFHGFCSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-12-14(20)16-7-8-18(12)9-13(19)17-11-5-3-10(15)4-6-11/h3-6,12H,2,7-9,15H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide?
N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 63602156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).