3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C15H24N4O — CID 82167851

IUPAC3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCCNC(=O)c1ccc(CN2CCN(C)CC2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-3-17-15(20)12-4-5-13(14(16)10-12)11-19-8-6-18(2)7-9-19/h4-5,10H,3,6-9,11,16H2,1-2H3,(H,17,20)
InChIKeyQAZZDZHWBGOFEG-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.77
Rot. Bonds4

About 3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide

3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 82167851) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID82167851
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCCNC(=O)c1ccc(CN2CCN(C)CC2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-3-17-15(20)12-4-5-13(14(16)10-12)11-19-8-6-18(2)7-9-19/h4-5,10H,3,6-9,11,16H2,1-2H3,(H,17,20)
InChIKeyQAZZDZHWBGOFEG-UHFFFAOYSA-N
XLogP0.77
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.77
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

3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 82167896
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide
CID 82167848
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
CID 82167845
3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 23145848
5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]aniline
CID 59353063
3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
CID 106324843
3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 82167867
3-chloro-N-[(5-chloro-2-ethylsulfanylphenyl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 134548740
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 82167851) is 3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CCNC(=O)c1ccc(CN2CCN(C)CC2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is QAZZDZHWBGOFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-17-15(20)12-4-5-13(14(16)10-12)11-19-8-6-18(2)7-9-19/h4-5,10H,3,6-9,11,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 82167851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).