N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide

C18H20N4O4 — CID 44781283

IUPACN-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(Oc2ccccn2)CC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O4/c23-17(20-14-4-3-5-15(12-14)22(24)25)13-21-10-7-16(8-11-21)26-18-6-1-2-9-19-18/h1-6,9,12,16H,7-8,10-11,13H2,(H,20,23)
InChIKeyQNVVFGFQNLSAJU-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.47
Rot. Bonds6

About N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide

N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide (PubChem CID 44781283) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide
PubChem CID44781283
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(Oc2ccccn2)CC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O4/c23-17(20-14-4-3-5-15(12-14)22(24)25)13-21-10-7-16(8-11-21)26-18-6-1-2-9-19-18/h1-6,9,12,16H,7-8,10-11,13H2,(H,20,23)
InChIKeyQNVVFGFQNLSAJU-UHFFFAOYSA-N
XLogP2.47
TPSA97.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
N-(3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542989
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 10406576
N-(3-nitrophenyl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90560781
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 16608517
2-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 62837178
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8726302
2-[4-(1-adamantyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 17349379
1-[3-(3-nitroanilino)-3-oxopropyl]-N-phenylpiperidine-4-carboxamide
CID 46685685
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 1452101
2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
CID 171704776

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide?
The IUPAC name of N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide (CID 44781283) is N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide is O=C(CN1CCC(Oc2ccccn2)CC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide?
The InChIKey is QNVVFGFQNLSAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-17(20-14-4-3-5-15(12-14)22(24)25)13-21-10-7-16(8-11-21)26-18-6-1-2-9-19-18/h1-6,9,12,16H,7-8,10-11,13H2,(H,20,23).
What are the key properties of N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide?
N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-(4-pyridin-2-yloxypiperidin-1-yl)acetamide is sourced from PubChem (CID 44781283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).