2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide

C14H19N3O3 — CID 133341822

IUPAC2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide
SMILESCc1cccc([N+](=O)[O-])c1N1CCCC(CC(N)=O)C1
InChIInChI=1S/C14H19N3O3/c1-10-4-2-6-12(17(19)20)14(10)16-7-3-5-11(9-16)8-13(15)18/h2,4,6,11H,3,5,7-9H2,1H3,(H2,15,18)
InChIKeyAYJBPFPCWRWWNN-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.00
Rot. Bonds4

About 2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide

2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide (PubChem CID 133341822) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide
PubChem CID133341822
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide
SMILESCc1cccc([N+](=O)[O-])c1N1CCCC(CC(N)=O)C1
InChIInChI=1S/C14H19N3O3/c1-10-4-2-6-12(17(19)20)14(10)16-7-3-5-11(9-16)8-13(15)18/h2,4,6,11H,3,5,7-9H2,1H3,(H2,15,18)
InChIKeyAYJBPFPCWRWWNN-UHFFFAOYSA-N
XLogP2.00
TPSA89.47 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 ≤ 52.00
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

(3R)-1-(2-methyl-6-nitrophenyl)piperidin-3-amine
CID 102986574
2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355894
2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355845
2-[1-(2-methyl-6-nitrophenyl)piperidin-4-yl]acetic acid
CID 115551122
methyl 2-methyl-2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]propanoate
CID 133444494
2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide
CID 133355928
1-(2-methyl-6-nitrophenyl)pyrrolidine-2-carboxylic acid
CID 113333845
3-methyl-1-(2-methyl-6-nitrophenyl)piperidin-4-amine
CID 115553937
methyl 1-(2-methyl-6-nitrophenyl)pyrrolidine-3-carboxylate
CID 78918362
1-[1-(2-methyl-6-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 112627908
methyl 2-[4-(2-methyl-6-nitrophenyl)morpholin-2-yl]acetate
CID 79764686
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-cyclopropyl-3-nitrobenzamide
CID 133355778

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide (CID 133341822) is 2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide is Cc1cccc([N+](=O)[O-])c1N1CCCC(CC(N)=O)C1.
What is the InChIKey of 2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide?
The InChIKey is AYJBPFPCWRWWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-2-6-12(17(19)20)14(10)16-7-3-5-11(9-16)8-13(15)18/h2,4,6,11H,3,5,7-9H2,1H3,(H2,15,18).
What are the key properties of 2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide?
2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide has a molecular weight of 277.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133341822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).