3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide

C14H22N4O — CID 82990188

IUPAC3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)N(C)C)cc2N)CC1
InChIInChI=1S/C14H22N4O/c1-16(2)14(19)11-4-5-13(12(15)10-11)18-8-6-17(3)7-9-18/h4-5,10H,6-9,15H2,1-3H3
InChIKeyULMWRRCAARSBPY-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.72
Rot. Bonds2

About 3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide

3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 82990188) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID82990188
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)N(C)C)cc2N)CC1
InChIInChI=1S/C14H22N4O/c1-16(2)14(19)11-4-5-13(12(15)10-11)18-8-6-17(3)7-9-18/h4-5,10H,6-9,15H2,1-3H3
InChIKeyULMWRRCAARSBPY-UHFFFAOYSA-N
XLogP0.72
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-4-(1,4-thiazepan-4-yl)benzamide
CID 82993380
3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide
CID 82990194
3-amino-N,N-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)benzamide
CID 82992471
3-amino-4-(3,5-dioxopiperazin-1-yl)-N,N-dimethylbenzamide
CID 82993406
4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 57327062
4-(4-acetylpiperazin-1-yl)-3-aminobenzoic acid
CID 54888081
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,N-dimethylbenzamide
CID 107453044
N,N,1-trimethyl-2,3-dihydroindole-6-carboxamide
CID 134369280
N-[5-(dimethylcarbamoyl)-2-(4-methylpiperazin-1-yl)phenyl]-2,4-difluoro-3-methylbenzamide
CID 174854329
4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide
CID 102888377
4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 63358501

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide (CID 82990188) is 3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)N(C)C)cc2N)CC1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is ULMWRRCAARSBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-16(2)14(19)11-4-5-13(12(15)10-11)18-8-6-17(3)7-9-18/h4-5,10H,6-9,15H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide?
3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 262.36 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 82990188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).