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

C14H19N3O3 — CID 61029345

IUPACN-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CC1CCNCC1
InChIInChI=1S/C14H19N3O3/c1-10-2-3-12(17(19)20)9-13(10)16-14(18)8-11-4-6-15-7-5-11/h2-3,9,11,15H,4-8H2,1H3,(H,16,18)
InChIKeyLGTRQFODLUQPCJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.23
Rot. Bonds4

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

N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide (PubChem CID 61029345) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
PubChem CID61029345
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CC1CCNCC1
InChIInChI=1S/C14H19N3O3/c1-10-2-3-12(17(19)20)9-13(10)16-14(18)8-11-4-6-15-7-5-11/h2-3,9,11,15H,4-8H2,1H3,(H,16,18)
InChIKeyLGTRQFODLUQPCJ-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
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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Related Compounds

N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 103145405
N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide
CID 62098447
N-(3-nitrophenyl)-2-piperidin-4-ylacetamide
CID 119670753
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119725801
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 106739038
N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
CID 63876721
3-[4-(hydroxymethyl)piperidin-1-yl]-N-(2-methyl-5-nitrophenyl)propanamide
CID 110899307
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide (CID 61029345) is N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1CCNCC1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide?
The InChIKey is LGTRQFODLUQPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-2-3-12(17(19)20)9-13(10)16-14(18)8-11-4-6-15-7-5-11/h2-3,9,11,15H,4-8H2,1H3,(H,16,18).
What are the key properties of N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide?
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide has a molecular weight of 277.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 61029345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).