N-(3-nitrophenyl)-2-piperidin-4-ylacetamide

C13H17N3O3 — CID 119670753

IUPACN-(3-nitrophenyl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c17-13(8-10-4-6-14-7-5-10)15-11-2-1-3-12(9-11)16(18)19/h1-3,9-10,14H,4-8H2,(H,15,17)
InChIKeyUBIBWVKOVIDERO-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.92
Rot. Bonds4

About N-(3-nitrophenyl)-2-piperidin-4-ylacetamide

N-(3-nitrophenyl)-2-piperidin-4-ylacetamide (PubChem CID 119670753) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-piperidin-4-ylacetamide
PubChem CID119670753
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(3-nitrophenyl)-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/c17-13(8-10-4-6-14-7-5-10)15-11-2-1-3-12(9-11)16(18)19/h1-3,9-10,14H,4-8H2,(H,15,17)
InChIKeyUBIBWVKOVIDERO-UHFFFAOYSA-N
XLogP1.92
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
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-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006
1-(3-nitrophenyl)-3-piperidin-4-ylurea
CID 43167665
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029345
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
2-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 62837178
1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628892
1-(3-nitrophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 95400189
N-[3-(2-methylpropoxy)phenyl]-2-piperidin-4-ylacetamide
CID 61030317
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(3-nitrophenyl)-2-piperidin-4-ylacetamide (CID 119670753) is N-(3-nitrophenyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-piperidin-4-ylacetamide?
The InChIKey is UBIBWVKOVIDERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-13(8-10-4-6-14-7-5-10)15-11-2-1-3-12(9-11)16(18)19/h1-3,9-10,14H,4-8H2,(H,15,17).
What are the key properties of N-(3-nitrophenyl)-2-piperidin-4-ylacetamide?
N-(3-nitrophenyl)-2-piperidin-4-ylacetamide has a molecular weight of 263.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 119670753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).