4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide

C13H17N3O3 — CID 17419262

IUPAC4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H17N3O3/c1-10-5-7-15(8-6-10)13(17)14-11-3-2-4-12(9-11)16(18)19/h2-4,9-10H,5-8H2,1H3,(H,14,17)
InChIKeyITHRPXCQRPQCGP-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.86
Rot. Bonds2

About 4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide

4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide (PubChem CID 17419262) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide
PubChem CID17419262
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C13H17N3O3/c1-10-5-7-15(8-6-10)13(17)14-11-3-2-4-12(9-11)16(18)19/h2-4,9-10H,5-8H2,1H3,(H,14,17)
InChIKeyITHRPXCQRPQCGP-UHFFFAOYSA-N
XLogP2.86
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide (CID 17419262) is 4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide is CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide?
The InChIKey is ITHRPXCQRPQCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-10-5-7-15(8-6-10)13(17)14-11-3-2-4-12(9-11)16(18)19/h2-4,9-10H,5-8H2,1H3,(H,14,17).
What are the key properties of 4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide?
4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-nitrophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 17419262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).