N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide

C15H21N3O4 — CID 8894734

IUPACN-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESCOc1cc(NC(=O)CN2CCCCC2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O4/c1-11-8-13(18(20)21)14(22-2)9-12(11)16-15(19)10-17-6-4-3-5-7-17/h8-9H,3-7,10H2,1-2H3,(H,16,19)
InChIKeyBLRCIYMHLSYXKO-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.34
Rot. Bonds5

About N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide

N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide (PubChem CID 8894734) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide
PubChem CID8894734
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESCOc1cc(NC(=O)CN2CCCCC2)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O4/c1-11-8-13(18(20)21)14(22-2)9-12(11)16-15(19)10-17-6-4-3-5-7-17/h8-9H,3-7,10H2,1-2H3,(H,16,19)
InChIKeyBLRCIYMHLSYXKO-UHFFFAOYSA-N
XLogP2.34
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.34
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-piperidin-1-ylacetamide?
The IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide (CID 8894734) is N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide is COc1cc(NC(=O)CN2CCCCC2)c(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is BLRCIYMHLSYXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11-8-13(18(20)21)14(22-2)9-12(11)16-15(19)10-17-6-4-3-5-7-17/h8-9H,3-7,10H2,1-2H3,(H,16,19).
What are the key properties of N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide?
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 307.35 g/mol, XLogP of 2.34, 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-piperidin-1-ylacetamide is sourced from PubChem (CID 8894734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).