5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide

C15H24N4O — CID 114516569

IUPAC5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide
SMILESCN1CCC(CCNc2ccc(N)cc2C(N)=O)CC1
InChIInChI=1S/C15H24N4O/c1-19-8-5-11(6-9-19)4-7-18-14-3-2-12(16)10-13(14)15(17)20/h2-3,10-11,18H,4-9,16H2,1H3,(H2,17,20)
InChIKeyXNJNELSEGVSQKG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.51
Rot. Bonds5

About 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide

5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide (PubChem CID 114516569) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide.

Molecular Properties

Compound Name5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide
PubChem CID114516569
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide
SMILESCN1CCC(CCNc2ccc(N)cc2C(N)=O)CC1
InChIInChI=1S/C15H24N4O/c1-19-8-5-11(6-9-19)4-7-18-14-3-2-12(16)10-13(14)15(17)20/h2-3,10-11,18H,4-9,16H2,1H3,(H2,17,20)
InChIKeyXNJNELSEGVSQKG-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

methyl 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzoate
CID 114516560
4-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 114516573
2-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515863
4-amino-3-[2-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 114516574
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867
2-amino-4-fluoro-5-[2-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 114516577
4-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515840
4-chloro-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzenecarbothioamide
CID 114515846
[4-amino-3-[2-(1-methylpiperidin-4-yl)ethylamino]phenyl]-phenylmethanone
CID 66552910
5-amino-2-(3-methylbutylamino)benzamide
CID 61306874
2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104765046

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide?
The IUPAC name of 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide (CID 114516569) is 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide.
What is the SMILES notation for 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide?
The canonical SMILES for 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide is CN1CCC(CCNc2ccc(N)cc2C(N)=O)CC1.
What is the InChIKey of 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide?
The InChIKey is XNJNELSEGVSQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19-8-5-11(6-9-19)4-7-18-14-3-2-12(16)10-13(14)15(17)20/h2-3,10-11,18H,4-9,16H2,1H3,(H2,17,20).
What are the key properties of 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide?
5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]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 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide is sourced from PubChem (CID 114516569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).