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

C14H19N3O3 — CID 114695003

IUPACN-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
SMILESCC1NCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10-13(6-3-7-15-10)16-14(18)9-11-4-2-5-12(8-11)17(19)20/h2,4-5,8,10,13,15H,3,6-7,9H2,1H3,(H,16,18)
InChIKeyRFSTZBHJZDSMNS-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.39
Rot. Bonds4

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

N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide (PubChem CID 114695003) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
PubChem CID114695003
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
SMILESCC1NCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10-13(6-3-7-15-10)16-14(18)9-11-4-2-5-12(8-11)17(19)20/h2,4-5,8,10,13,15H,3,6-7,9H2,1H3,(H,16,18)
InChIKeyRFSTZBHJZDSMNS-UHFFFAOYSA-N
XLogP1.39
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.39
H-Bond Donors ≤ 52
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 N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide (CID 114695003) is N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide is CC1NCCCC1NC(=O)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide?
The InChIKey is RFSTZBHJZDSMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-13(6-3-7-15-10)16-14(18)9-11-4-2-5-12(8-11)17(19)20/h2,4-5,8,10,13,15H,3,6-7,9H2,1H3,(H,16,18).
What are the key properties of N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide?
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 114695003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).