4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide

C16H25N3O2 — CID 107390559

IUPAC4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide
SMILESCOC1(C)CCCN(c2cc(N)ccc2C(=O)N(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-16(21-4)8-5-9-19(11-16)14-10-12(17)6-7-13(14)15(20)18(2)3/h6-7,10H,5,8-9,11,17H2,1-4H3
InChIKeyHXASBXRJOKNOKD-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.98
Rot. Bonds3

About 4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide

4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide (PubChem CID 107390559) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide
PubChem CID107390559
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide
SMILESCOC1(C)CCCN(c2cc(N)ccc2C(=O)N(C)C)C1
InChIInChI=1S/C16H25N3O2/c1-16(21-4)8-5-9-19(11-16)14-10-12(17)6-7-13(14)15(20)18(2)3/h6-7,10H,5,8-9,11,17H2,1-4H3
InChIKeyHXASBXRJOKNOKD-UHFFFAOYSA-N
XLogP1.98
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide (CID 107390559) is 4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide is COC1(C)CCCN(c2cc(N)ccc2C(=O)N(C)C)C1.
What is the InChIKey of 4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide?
The InChIKey is HXASBXRJOKNOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(21-4)8-5-9-19(11-16)14-10-12(17)6-7-13(14)15(20)18(2)3/h6-7,10H,5,8-9,11,17H2,1-4H3.
What are the key properties of 4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide?
4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-methoxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 107390559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).