2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide

C14H22N4O — CID 91677313

IUPAC2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide
SMILESCCN1CCN(c2ccc(NC)cc2C(N)=O)CC1
InChIInChI=1S/C14H22N4O/c1-3-17-6-8-18(9-7-17)13-5-4-11(16-2)10-12(13)14(15)19/h4-5,10,16H,3,6-9H2,1-2H3,(H2,15,19)
InChIKeyZKMNRYJRNSOGMA-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.97
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide

2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide (PubChem CID 91677313) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide
PubChem CID91677313
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide
SMILESCCN1CCN(c2ccc(NC)cc2C(N)=O)CC1
InChIInChI=1S/C14H22N4O/c1-3-17-6-8-18(9-7-17)13-5-4-11(16-2)10-12(13)14(15)19/h4-5,10,16H,3,6-9H2,1-2H3,(H2,15,19)
InChIKeyZKMNRYJRNSOGMA-UHFFFAOYSA-N
XLogP0.97
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylpiperazin-1-yl)-5-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 91677312
5-(methylamino)-2-pyrrolidin-1-ylbenzoic acid
CID 153184017
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 91676100
2-(4-ethylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid
CID 50766120
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]-2-chlorobenzamide
CID 91676128
methyl 2-(4-ethylpiperazin-1-yl)benzoate
CID 99973041
2-(4-ethylpiperazin-1-yl)-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid
CID 50766168
5-[(4-bromobenzoyl)amino]-2-(4-ethylpiperazin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146061009
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 46830361
methyl 2-(4-ethylpiperazin-1-yl)-5-nitrobenzoate
CID 3137785
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methylpropanamide
CID 1395560

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide (CID 91677313) is 2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide is CCN1CCN(c2ccc(NC)cc2C(N)=O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide?
The InChIKey is ZKMNRYJRNSOGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-17-6-8-18(9-7-17)13-5-4-11(16-2)10-12(13)14(15)19/h4-5,10,16H,3,6-9H2,1-2H3,(H2,15,19).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide?
2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide has a molecular weight of 262.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-(methylamino)benzamide is sourced from PubChem (CID 91677313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).