2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

C15H24N4O — CID 114514867

IUPAC2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCN1CCC(CCNC(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C15H24N4O/c1-19-8-5-11(6-9-19)4-7-18-15(20)13-3-2-12(16)10-14(13)17/h2-3,10-11H,4-9,16-17H2,1H3,(H,18,20)
InChIKeyTZQSLVNKIAFEEW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.31
Rot. Bonds4

About 2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 114514867) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID114514867
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCN1CCC(CCNC(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C15H24N4O/c1-19-8-5-11(6-9-19)4-7-18-15(20)13-3-2-12(16)10-14(13)17/h2-3,10-11H,4-9,16-17H2,1H3,(H,18,20)
InChIKeyTZQSLVNKIAFEEW-UHFFFAOYSA-N
XLogP1.31
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.31
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

4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119865905
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864
2,4-diamino-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949912
4-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 114516573
5-amino-2-fluoro-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103296905
4-fluoro-2-hydroxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 103829910
3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514863
5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 114516569
2-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-sulfanylbenzamide
CID 107036335
2-amino-3-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 105387682
2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162906
3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514817

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 114514867) is 2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is CN1CCC(CCNC(=O)c2ccc(N)cc2N)CC1.
What is the InChIKey of 2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is TZQSLVNKIAFEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19-8-5-11(6-9-19)4-7-18-15(20)13-3-2-12(16)10-14(13)17/h2-3,10-11H,4-9,16-17H2,1H3,(H,18,20).
What are the key properties of 2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 114514867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).