2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide

C14H22N4O — CID 153382151

IUPAC2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide
SMILESCCN1CCN(c2ccc(N)c(C(N)=O)c2)[C@@H](C)C1
InChIInChI=1S/C14H22N4O/c1-3-17-6-7-18(10(2)9-17)11-4-5-13(15)12(8-11)14(16)19/h4-5,8,10H,3,6-7,9,15H2,1-2H3,(H2,16,19)/t10-/m0/s1
InChIKeyHNRJRRIFVCRZEY-JTQLQIEISA-N
MW262.36 g/mol
LogP0.90
Rot. Bonds3

About 2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide

2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide (PubChem CID 153382151) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide
PubChem CID153382151
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide
SMILESCCN1CCN(c2ccc(N)c(C(N)=O)c2)[C@@H](C)C1
InChIInChI=1S/C14H22N4O/c1-3-17-6-7-18(10(2)9-17)11-4-5-13(15)12(8-11)14(16)19/h4-5,8,10H,3,6-7,9,15H2,1-2H3,(H2,16,19)/t10-/m0/s1
InChIKeyHNRJRRIFVCRZEY-JTQLQIEISA-N
XLogP0.90
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.90
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

2-(Methylamino)benzamide
CID 101222
N-(4-Hydroxy-2-methyl-6-quinolinyl)acetamide
CID 308136
2-amino-N,N-diethylbenzamide
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2-Piperidinobenzamide
CID 335067
N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 723431
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
CID 10858497
7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzodiazepine-6,12(5H,6aH)-dione
CID 3231443
2-amino-N-(3-methylphenyl)benzamide
CID 2467368
6-Amino-2-methylquinolin-4-ol
CID 308137
2-(Piperidine-1-carbonyl)aniline
CID 558730
2-Amino-N-(butan-2-yl)benzamide
CID 2774307
RY796
CID 71719898

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide?
The IUPAC name of 2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide (CID 153382151) is 2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide.
What is the SMILES notation for 2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide?
The canonical SMILES for 2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide is CCN1CCN(c2ccc(N)c(C(N)=O)c2)[C@@H](C)C1.
What is the InChIKey of 2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide?
The InChIKey is HNRJRRIFVCRZEY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-17-6-7-18(10(2)9-17)11-4-5-13(15)12(8-11)14(16)19/h4-5,8,10H,3,6-7,9,15H2,1-2H3,(H2,16,19)/t10-/m0/s1.
What are the key properties of 2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide?
2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide has a molecular weight of 262.36 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide is sourced from PubChem (CID 153382151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).