N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide

C17H26BrN3O2 — CID 70651561

IUPACN-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide
SMILESCON1CCC(N)(N(C)C(=O)Cc2c(C)cc(C)cc2Br)CC1
InChIInChI=1S/C17H26BrN3O2/c1-12-9-13(2)14(15(18)10-12)11-16(22)20(3)17(19)5-7-21(23-4)8-6-17/h9-10H,5-8,11,19H2,1-4H3
InChIKeyPNECLVFRYWKEBW-UHFFFAOYSA-N
MW384.32 g/mol
LogP2.38
Rot. Bonds4

About N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide

N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide (PubChem CID 70651561) has the molecular formula C17H26BrN3O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide
PubChem CID70651561
Molecular FormulaC17H26BrN3O2
Molecular Weight384.32 g/mol
Exact Mass383.12
IUPAC NameN-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide
SMILESCON1CCC(N)(N(C)C(=O)Cc2c(C)cc(C)cc2Br)CC1
InChIInChI=1S/C17H26BrN3O2/c1-12-9-13(2)14(15(18)10-12)11-16(22)20(3)17(19)5-7-21(23-4)8-6-17/h9-10H,5-8,11,19H2,1-4H3
InChIKeyPNECLVFRYWKEBW-UHFFFAOYSA-N
XLogP2.38
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide (CID 70651561) is N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide is CON1CCC(N)(N(C)C(=O)Cc2c(C)cc(C)cc2Br)CC1.
What is the InChIKey of N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide?
The InChIKey is PNECLVFRYWKEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O2/c1-12-9-13(2)14(15(18)10-12)11-16(22)20(3)17(19)5-7-21(23-4)8-6-17/h9-10H,5-8,11,19H2,1-4H3.
What are the key properties of N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide?
N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide has a molecular weight of 384.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxypiperidin-4-yl)-2-(2-bromo-4,6-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 70651561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).