2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide

C14H19N3O3 — CID 8583375

IUPAC2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESC[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O3/c1-11-4-2-3-9-16(11)10-14(18)15-12-5-7-13(8-6-12)17(19)20/h5-8,11H,2-4,9-10H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyWPXORGWHHJTVTL-NSHDSACASA-N
MW277.32 g/mol
LogP2.41
Rot. Bonds4

About 2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide

2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide (PubChem CID 8583375) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
PubChem CID8583375
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
SMILESC[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H19N3O3/c1-11-4-2-3-9-16(11)10-14(18)15-12-5-7-13(8-6-12)17(19)20/h5-8,11H,2-4,9-10H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyWPXORGWHHJTVTL-NSHDSACASA-N
XLogP2.41
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 ≤ 52.41
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

N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 46801133
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 18078471
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 8583231
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 55409696
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 3456969
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
N-(4-ethylphenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]acetamide
CID 95774756
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide (CID 8583375) is 2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide is C[C@H]1CCCCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide?
The InChIKey is WPXORGWHHJTVTL-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11-4-2-3-9-16(11)10-14(18)15-12-5-7-13(8-6-12)17(19)20/h5-8,11H,2-4,9-10H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide?
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 8583375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).