N-(2-nitrophenyl)-2-piperidin-1-ylacetamide

C13H17N3O3 — CID 2837469

IUPACN-(2-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c17-13(10-15-8-4-1-5-9-15)14-11-6-2-3-7-12(11)16(18)19/h2-3,6-7H,1,4-5,8-10H2,(H,14,17)
InChIKeyMKFJZUXWIWRQSJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.02
Rot. Bonds4

About N-(2-nitrophenyl)-2-piperidin-1-ylacetamide

N-(2-nitrophenyl)-2-piperidin-1-ylacetamide (PubChem CID 2837469) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-piperidin-1-ylacetamide
PubChem CID2837469
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O3/c17-13(10-15-8-4-1-5-9-15)14-11-6-2-3-7-12(11)16(18)19/h2-3,6-7H,1,4-5,8-10H2,(H,14,17)
InChIKeyMKFJZUXWIWRQSJ-UHFFFAOYSA-N
XLogP2.02
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.02
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 N-(2-nitrophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(2-nitrophenyl)-2-piperidin-1-ylacetamide (CID 2837469) is N-(2-nitrophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(2-nitrophenyl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-nitrophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is MKFJZUXWIWRQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(10-15-8-4-1-5-9-15)14-11-6-2-3-7-12(11)16(18)19/h2-3,6-7H,1,4-5,8-10H2,(H,14,17).
What are the key properties of N-(2-nitrophenyl)-2-piperidin-1-ylacetamide?
N-(2-nitrophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 263.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2837469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).