2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide

C13H17N3O4 — CID 31480734

IUPAC2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESO=C(CN1CCC(O)CC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O4/c17-10-5-7-15(8-6-10)9-13(18)14-11-3-1-2-4-12(11)16(19)20/h1-4,10,17H,5-9H2,(H,14,18)
InChIKeyLMFDKIZGZGCFFC-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.99
Rot. Bonds4

About 2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide

2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide (PubChem CID 31480734) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
PubChem CID31480734
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide
SMILESO=C(CN1CCC(O)CC1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O4/c17-10-5-7-15(8-6-10)9-13(18)14-11-3-1-2-4-12(11)16(19)20/h1-4,10,17H,5-9H2,(H,14,18)
InChIKeyLMFDKIZGZGCFFC-UHFFFAOYSA-N
XLogP0.99
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
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

1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2919057
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102987
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 22194967
N-(2-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 23373391
N,N'-bis(2-nitrophenyl)propanediamide
CID 3819304
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
N-(2-benzylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 39902316
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 55519862
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 3212835

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide (CID 31480734) is 2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide is O=C(CN1CCC(O)CC1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide?
The InChIKey is LMFDKIZGZGCFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-10-5-7-15(8-6-10)9-13(18)14-11-3-1-2-4-12(11)16(19)20/h1-4,10,17H,5-9H2,(H,14,18).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide?
2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide has a molecular weight of 279.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 31480734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).