N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide

C13H18N4O2 — CID 63596455

IUPACN-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
SMILESCC1C(=O)NCCN1CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C13H18N4O2/c1-9-13(19)15-5-6-17(9)8-12(18)16-11-4-2-3-10(14)7-11/h2-4,7,9H,5-6,8,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyFTBWVBVVKDPDBP-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.03
Rot. Bonds3

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

N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide (PubChem CID 63596455) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
PubChem CID63596455
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
SMILESCC1C(=O)NCCN1CC(=O)Nc1cccc(N)c1
InChIInChI=1S/C13H18N4O2/c1-9-13(19)15-5-6-17(9)8-12(18)16-11-4-2-3-10(14)7-11/h2-4,7,9H,5-6,8,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyFTBWVBVVKDPDBP-UHFFFAOYSA-N
XLogP0.03
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide
CID 95773132
N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
CID 63596286
2-(2-methyl-3-oxopiperazin-1-yl)acetohydrazide
CID 63607560
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-(3-aminophenyl)acetamide
CID 82746898
N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602156
N-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592183
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-(3-aminophenyl)-2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetamide
CID 64836220
N-(3-amino-4-chlorophenyl)-3-(2-methyl-3-oxopiperazin-1-yl)propanamide
CID 63595580
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
N-(3-aminophenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 43544225
methyl 2-[1-[2-(3-iodoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 46820582

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide (CID 63596455) is N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide is CC1C(=O)NCCN1CC(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide?
The InChIKey is FTBWVBVVKDPDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-13(19)15-5-6-17(9)8-12(18)16-11-4-2-3-10(14)7-11/h2-4,7,9H,5-6,8,14H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide?
N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 63596455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).