N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide

C16H23N3O4 — CID 12006211

IUPACN-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCOc1cc(NC(=O)CN2CCC(C)CC2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O4/c1-11-4-6-18(7-5-11)10-16(20)17-13-9-15(23-3)14(19(21)22)8-12(13)2/h8-9,11H,4-7,10H2,1-3H3,(H,17,20)
InChIKeyYJWBZLURWOJQER-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.58
Rot. Bonds5

About N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide

N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 12006211) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID12006211
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCOc1cc(NC(=O)CN2CCC(C)CC2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H23N3O4/c1-11-4-6-18(7-5-11)10-16(20)17-13-9-15(23-3)14(19(21)22)8-12(13)2/h8-9,11H,4-7,10H2,1-3H3,(H,17,20)
InChIKeyYJWBZLURWOJQER-UHFFFAOYSA-N
XLogP2.58
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide (CID 12006211) is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide is COc1cc(NC(=O)CN2CCC(C)CC2)c(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is YJWBZLURWOJQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11-4-6-18(7-5-11)10-16(20)17-13-9-15(23-3)14(19(21)22)8-12(13)2/h8-9,11H,4-7,10H2,1-3H3,(H,17,20).
What are the key properties of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 12006211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).