N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride

C13H18ClN3O3 — CID 11957309

IUPACN-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3.ClH/c17-13(10-15-7-2-1-3-8-15)14-11-5-4-6-12(9-11)16(18)19;/h4-6,9H,1-3,7-8,10H2,(H,14,17);1H
InChIKeyBGZCXBDGEFGFTC-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.44
Rot. Bonds4

About N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride

N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride (PubChem CID 11957309) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride
PubChem CID11957309
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC NameN-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCCCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3.ClH/c17-13(10-15-7-2-1-3-8-15)14-11-5-4-6-12(9-11)16(18)19;/h4-6,9H,1-3,7-8,10H2,(H,14,17);1H
InChIKeyBGZCXBDGEFGFTC-UHFFFAOYSA-N
XLogP2.44
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.44
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

3-Nitroacetanilide
CID 31206
6-Nitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione
CID 4038142
1-(3-Nitrophenyl)piperazine
CID 2760216
N-Phenyl-1-piperidineacetamide
CID 78402
N-(3-Amino-phenyl)-2-morpholin-4-yl-acetamide
CID 1073123
2-Morpholin-4-yl-N-(4-nitro-phenyl)-acetamide
CID 2837466
N-(4-nitrophenyl)-2-(1-pyrrolidinyl)acetamide
CID 2959226
N-Methyl-N-(3-nitrophenyl)acetamide
CID 676602
2-morpholin-4-yl-N-(3-nitrophenyl)acetamide
CID 687269
1-Piperazineacetamide, N-phenyl-
CID 218560
1-Acetyl-4-(4-nitrophenyl)piperazine
CID 2865149
2-(azepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 972890

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride (CID 11957309) is N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride is Cl.O=C(CN1CCCCC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride?
The InChIKey is BGZCXBDGEFGFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.ClH/c17-13(10-15-7-2-1-3-8-15)14-11-5-4-6-12(9-11)16(18)19;/h4-6,9H,1-3,7-8,10H2,(H,14,17);1H.
What are the key properties of N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride?
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-piperidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 11957309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).