N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide

C14H19N3O3 — CID 13478077

IUPACN-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-11-6-5-7-12(17(19)20)14(11)15-13(18)10-16-8-3-2-4-9-16/h5-7H,2-4,8-10H2,1H3,(H,15,18)
InChIKeyIFYZUHPFZSHBIW-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.33
Rot. Bonds4

About N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide

N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide (PubChem CID 13478077) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
PubChem CID13478077
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-11-6-5-7-12(17(19)20)14(11)15-13(18)10-16-8-3-2-4-9-16/h5-7H,2-4,8-10H2,1H3,(H,15,18)
InChIKeyIFYZUHPFZSHBIW-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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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Related Compounds

2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8930876
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 8900115
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide
CID 120772304
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
N-(2-chloro-6-methylphenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832627
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
N-(4-chloro-2-nitrophenyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 46809826
2-methyl-6-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 78918375
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
N-(2,6-dimethylphenyl)-2-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-yl]acetamide
CID 9021521
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 29164014

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide (CID 13478077) is N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide is Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is IFYZUHPFZSHBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11-6-5-7-12(17(19)20)14(11)15-13(18)10-16-8-3-2-4-9-16/h5-7H,2-4,8-10H2,1H3,(H,15,18).
What are the key properties of N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide?
N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 277.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-nitrophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 13478077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).