N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide

C16H25N3O2 — CID 16782750

IUPACN-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CN1C(C)CCCC1C
InChIInChI=1S/C16H25N3O2/c1-11-5-4-6-12(2)19(11)10-16(20)18-14-9-13(17)7-8-15(14)21-3/h7-9,11-12H,4-6,10,17H2,1-3H3,(H,18,20)
InChIKeyXQZXFOFSNFNQMP-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.48
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide

N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide (PubChem CID 16782750) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
PubChem CID16782750
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
SMILESCOc1ccc(N)cc1NC(=O)CN1C(C)CCCC1C
InChIInChI=1S/C16H25N3O2/c1-11-5-4-6-12(2)19(11)10-16(20)18-14-9-13(17)7-8-15(14)21-3/h7-9,11-12H,4-6,10,17H2,1-3H3,(H,18,20)
InChIKeyXQZXFOFSNFNQMP-UHFFFAOYSA-N
XLogP2.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide (CID 16782750) is N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide is COc1ccc(N)cc1NC(=O)CN1C(C)CCCC1C.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide?
The InChIKey is XQZXFOFSNFNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11-5-4-6-12(2)19(11)10-16(20)18-14-9-13(17)7-8-15(14)21-3/h7-9,11-12H,4-6,10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide?
N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide has a molecular weight of 291.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 16782750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).