2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide

C15H24N4O — CID 115545622

IUPAC2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide
SMILESCCN1CCC(CNc2cccc(C(N)=O)c2N)CC1
InChIInChI=1S/C15H24N4O/c1-2-19-8-6-11(7-9-19)10-18-13-5-3-4-12(14(13)16)15(17)20/h3-5,11,18H,2,6-10,16H2,1H3,(H2,17,20)
InChIKeyGGFAEKIOUYJCIG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.51
Rot. Bonds5

About 2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide

2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide (PubChem CID 115545622) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide
PubChem CID115545622
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide
SMILESCCN1CCC(CNc2cccc(C(N)=O)c2N)CC1
InChIInChI=1S/C15H24N4O/c1-2-19-8-6-11(7-9-19)10-18-13-5-3-4-12(14(13)16)15(17)20/h3-5,11,18H,2,6-10,16H2,1H3,(H2,17,20)
InChIKeyGGFAEKIOUYJCIG-UHFFFAOYSA-N
XLogP1.51
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
2-amino-3-(2-cyclopropylethylamino)benzamide
CID 115546423
3-N-[(1-ethylpiperidin-4-yl)methyl]-2-nitrobenzene-1,3-diamine
CID 80812500
2-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]benzamide
CID 61306295
4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
CID 63357311
2-amino-3-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 115546016
1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 115506828
2-amino-3-[(4-propylcyclohexyl)amino]benzamide
CID 115545356
2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
2-amino-3-[(4-methoxy-2,2-dimethylbutyl)amino]benzamide
CID 114126621
2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 62375945
ethyl 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzoate
CID 115545628

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide?
The IUPAC name of 2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide (CID 115545622) is 2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide.
What is the SMILES notation for 2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide?
The canonical SMILES for 2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide is CCN1CCC(CNc2cccc(C(N)=O)c2N)CC1.
What is the InChIKey of 2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide?
The InChIKey is GGFAEKIOUYJCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-19-8-6-11(7-9-19)10-18-13-5-3-4-12(14(13)16)15(17)20/h3-5,11,18H,2,6-10,16H2,1H3,(H2,17,20).
What are the key properties of 2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide?
2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide is sourced from PubChem (CID 115545622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).