2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide

C14H19N3O3 — CID 115736889

IUPAC2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCCCN1
InChIInChI=1S/C14H19N3O3/c18-14(16-10-12-5-1-2-7-15-12)9-11-4-3-6-13(8-11)17(19)20/h3-4,6,8,12,15H,1-2,5,7,9-10H2,(H,16,18)
InChIKeyCJZUKSOYNOPQQX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.40
Rot. Bonds5

About 2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide

2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide (PubChem CID 115736889) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
PubChem CID115736889
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide
SMILESO=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCCCN1
InChIInChI=1S/C14H19N3O3/c18-14(16-10-12-5-1-2-7-15-12)9-11-4-3-6-13(8-11)17(19)20/h3-4,6,8,12,15H,1-2,5,7,9-10H2,(H,16,18)
InChIKeyCJZUKSOYNOPQQX-UHFFFAOYSA-N
XLogP1.40
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.40
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-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084672
2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 91660403
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
2-[2-(3-nitrophenyl)ethyl]pyrrolidine
CID 104703830
2-(2-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62541799
2-[2-[(3-nitrophenyl)methoxy]ethyl]piperidine
CID 62342977
N-methyl-N-[(3-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106623093
2-[methyl-(3-nitrophenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511611
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
2-chloro-5-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62539858
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide (CID 115736889) is 2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide is O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCCCN1.
What is the InChIKey of 2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide?
The InChIKey is CJZUKSOYNOPQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-14(16-10-12-5-1-2-7-15-12)9-11-4-3-6-13(8-11)17(19)20/h3-4,6,8,12,15H,1-2,5,7,9-10H2,(H,16,18).
What are the key properties of 2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide?
2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-N-(piperidin-2-ylmethyl)acetamide is sourced from PubChem (CID 115736889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).