N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide

C17H23N3O5 — CID 95272265

IUPACN-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C
InChIInChI=1S/C17H23N3O5/c1-12-5-3-4-10-19(12)17(22)13(2)18-16(21)11-25-15-8-6-14(7-9-15)20(23)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,21)/t12-,13+/m1/s1
InChIKeyMOYJPZSCYAMFHN-OLZOCXBDSA-N
MW349.39 g/mol
LogP1.88
Rot. Bonds6

About N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide

N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide (PubChem CID 95272265) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide
PubChem CID95272265
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC NameN-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide
SMILESC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C
InChIInChI=1S/C17H23N3O5/c1-12-5-3-4-10-19(12)17(22)13(2)18-16(21)11-25-15-8-6-14(7-9-15)20(23)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,21)/t12-,13+/m1/s1
InChIKeyMOYJPZSCYAMFHN-OLZOCXBDSA-N
XLogP1.88
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
1-(2-methylpiperidin-1-yl)-2-(4-nitrophenyl)sulfanylpropan-1-one
CID 78790966
(4-nitrophenyl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842104
N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide
CID 60708304
(2R,3R)-2-methyl-1-[2-(4-nitrophenoxy)acetyl]piperidine-3-carboxylic acid
CID 122114872
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770110
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 3456969
2-(4-nitrophenoxy)-1-[(2S)-2-phenylpyrrolidin-1-yl]ethanone
CID 41293733
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7502158
4-[[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]amino]-3-nitrobenzonitrile
CID 133285543

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide (CID 95272265) is N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide is C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C.
What is the InChIKey of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is MOYJPZSCYAMFHN-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-12-5-3-4-10-19(12)17(22)13(2)18-16(21)11-25-15-8-6-14(7-9-15)20(23)24/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,18,21)/t12-,13+/m1/s1.
What are the key properties of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide?
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 95272265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).