2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide

C14H19N3O3 — CID 3128746

IUPAC2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
SMILESCC1CCCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H19N3O3/c1-11-4-3-7-16(9-11)10-14(18)15-12-5-2-6-13(8-12)17(19)20/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H,15,18)
InChIKeyBRKZADLAVCZAMN-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.27
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide

2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 3128746) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
PubChem CID3128746
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
SMILESCC1CCCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C14H19N3O3/c1-11-4-3-7-16(9-11)10-14(18)15-12-5-2-6-13(8-12)17(19)20/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H,15,18)
InChIKeyBRKZADLAVCZAMN-UHFFFAOYSA-N
XLogP2.27
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide (CID 3128746) is 2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide is CC1CCCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is BRKZADLAVCZAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11-4-3-7-16(9-11)10-14(18)15-12-5-2-6-13(8-12)17(19)20/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H,15,18).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 3128746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).