2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide

C14H19N3O3 — CID 133355845

IUPAC2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide
SMILESCc1ccc(N2CCCC(CC(N)=O)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10-4-5-12(13(7-10)17(19)20)16-6-2-3-11(9-16)8-14(15)18/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,15,18)
InChIKeyDYJCPXIWIQVFHQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.00
Rot. Bonds4

About 2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide

2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide (PubChem CID 133355845) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide
PubChem CID133355845
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide
SMILESCc1ccc(N2CCCC(CC(N)=O)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10-4-5-12(13(7-10)17(19)20)16-6-2-3-11(9-16)8-14(15)18/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,15,18)
InChIKeyDYJCPXIWIQVFHQ-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

2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355894
(3R)-1-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 102985903
N-methyl-1-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methanamine
CID 61205011
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-cyclopropyl-3-nitrobenzamide
CID 133355778
2-[1-(4-methyl-2-nitrophenyl)azetidin-3-yl]acetic acid
CID 64616650
1-(4-methyl-2-nitrophenyl)pyrrolidin-3-amine
CID 62067743
2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide
CID 133341822
2-[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 71865356
4-methyl-N-[[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 133389491
2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide
CID 133355928
[(3S)-1-(4-acetyl-2-nitrophenyl)piperidin-3-yl]methanesulfonamide
CID 95622998
ethyl 1-(4-methyl-2-nitrophenyl)piperidine-4-carboxylate
CID 62004724

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide (CID 133355845) is 2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide is Cc1ccc(N2CCCC(CC(N)=O)C2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide?
The InChIKey is DYJCPXIWIQVFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-4-5-12(13(7-10)17(19)20)16-6-2-3-11(9-16)8-14(15)18/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,15,18).
What are the key properties of 2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide?
2-[1-(4-methyl-2-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-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133355845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).