4-amino-3-(4-methylpiperazin-1-yl)benzamide

C12H18N4O — CID 55189987

IUPAC4-amino-3-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2cc(C(N)=O)ccc2N)CC1
InChIInChI=1S/C12H18N4O/c1-15-4-6-16(7-5-15)11-8-9(12(14)17)2-3-10(11)13/h2-3,8H,4-7,13H2,1H3,(H2,14,17)
InChIKeyDBTODIWSFTYTTR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.12
Rot. Bonds2

About 4-amino-3-(4-methylpiperazin-1-yl)benzamide

4-amino-3-(4-methylpiperazin-1-yl)benzamide (PubChem CID 55189987) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-amino-3-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-(4-methylpiperazin-1-yl)benzamide
PubChem CID55189987
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-amino-3-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2cc(C(N)=O)ccc2N)CC1
InChIInChI=1S/C12H18N4O/c1-15-4-6-16(7-5-15)11-8-9(12(14)17)2-3-10(11)13/h2-3,8H,4-7,13H2,1H3,(H2,14,17)
InChIKeyDBTODIWSFTYTTR-UHFFFAOYSA-N
XLogP0.12
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.12
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

4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
4-amino-3-(8-azaspiro[4.5]decan-8-yl)benzamide
CID 63356536
4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide
CID 63356184
3-(carbamothioylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 169358475
1-(4-amino-3-pyrrolidin-1-ylphenyl)ethanone
CID 165012746
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide
CID 63356660
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
CID 82990188
2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 84613951
4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380
4-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
CID 81199317
4-amino-3-(2-methyl-2,3-dihydroindol-1-yl)benzamide
CID 63356081
3-(2,2-dicyanoethenylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 168543868

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 4-amino-3-(4-methylpiperazin-1-yl)benzamide (CID 55189987) is 4-amino-3-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 4-amino-3-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 4-amino-3-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2cc(C(N)=O)ccc2N)CC1.
What is the InChIKey of 4-amino-3-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is DBTODIWSFTYTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15-4-6-16(7-5-15)11-8-9(12(14)17)2-3-10(11)13/h2-3,8H,4-7,13H2,1H3,(H2,14,17).
What are the key properties of 4-amino-3-(4-methylpiperazin-1-yl)benzamide?
4-amino-3-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 55189987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).