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

C13H17N3O3 — CID 687323

IUPACN-(3-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/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)
InChIKeyVNKKYMYQWARECN-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.02
Rot. Bonds4

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

N-(3-nitrophenyl)-2-piperidin-1-ylacetamide (PubChem CID 687323) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-piperidin-1-ylacetamide
PubChem CID687323
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(3-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H17N3O3/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)
InChIKeyVNKKYMYQWARECN-UHFFFAOYSA-N
XLogP2.02
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.02
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

2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
2-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 62837178
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 16608517
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
N-(3-nitrophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542989
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
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 1452101
1-(3-nitrophenyl)-3-(3-piperidin-1-ylpropyl)urea
CID 24626894
2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 34454824
2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
CID 171704776
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(3-nitrophenyl)-2-piperidin-1-ylacetamide (CID 687323) is N-(3-nitrophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is VNKKYMYQWARECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/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).
What are the key properties of N-(3-nitrophenyl)-2-piperidin-1-ylacetamide?
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 263.30 g/mol, XLogP of 2.02, 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 is sourced from PubChem (CID 687323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).