4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide

C16H25N3O2 — CID 106585831

IUPAC4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
SMILESCCNC(=O)c1ccc(N)c(N2CCCC(COC)C2)c1
InChIInChI=1S/C16H25N3O2/c1-3-18-16(20)13-6-7-14(17)15(9-13)19-8-4-5-12(10-19)11-21-2/h6-7,9,12H,3-5,8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyBTIZUZYFJUUFGD-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.88
Rot. Bonds5

About 4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide

4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide (PubChem CID 106585831) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
PubChem CID106585831
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
SMILESCCNC(=O)c1ccc(N)c(N2CCCC(COC)C2)c1
InChIInChI=1S/C16H25N3O2/c1-3-18-16(20)13-6-7-14(17)15(9-13)19-8-4-5-12(10-19)11-21-2/h6-7,9,12H,3-5,8,10-11,17H2,1-2H3,(H,18,20)
InChIKeyBTIZUZYFJUUFGD-UHFFFAOYSA-N
XLogP1.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.88
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

4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
ethyl 3-amino-4-[3-(methoxymethyl)piperidin-1-yl]benzoate
CID 106588291
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82999420
4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
CID 63360895
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 63360665
3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
CID 82990426
4-acetyl-2-[3-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 133454801
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 64571235
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide
CID 55188948
3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
CID 83000134

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide (CID 106585831) is 4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide is CCNC(=O)c1ccc(N)c(N2CCCC(COC)C2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide?
The InChIKey is BTIZUZYFJUUFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-18-16(20)13-6-7-14(17)15(9-13)19-8-4-5-12(10-19)11-21-2/h6-7,9,12H,3-5,8,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide?
4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 106585831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).