2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide

C13H17N3O3 — CID 133355894

IUPAC2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H17N3O3/c14-13(17)8-10-4-3-7-15(9-10)11-5-1-2-6-12(11)16(18)19/h1-2,5-6,10H,3-4,7-9H2,(H2,14,17)
InChIKeyCWLQDSVHKJZWBR-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.69
Rot. Bonds4

About 2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide

2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide (PubChem CID 133355894) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
PubChem CID133355894
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide
SMILESNC(=O)CC1CCCN(c2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H17N3O3/c14-13(17)8-10-4-3-7-15(9-10)11-5-1-2-6-12(11)16(18)19/h1-2,5-6,10H,3-4,7-9H2,(H2,14,17)
InChIKeyCWLQDSVHKJZWBR-UHFFFAOYSA-N
XLogP1.69
TPSA89.47 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 ≤ 51.69
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

[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
2-[1-(4-methyl-2-nitrophenyl)piperidin-3-yl]acetamide
CID 133355845
2-[1-(2-methyl-6-nitrophenyl)piperidin-3-yl]acetamide
CID 133341822
4-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-cyclopropyl-3-nitrobenzamide
CID 133355778
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide
CID 133355858
2-[1-(3-methoxy-4-nitrophenyl)piperidin-3-yl]acetamide
CID 133355928
(3R)-N,N-diethyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 7123107
2-[1-(2-methyl-3-nitrophenyl)piperidin-3-yl]ethanol
CID 63077968
2-[(3R)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-yl]acetamide
CID 97160294
2-[(3S)-1-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperidin-3-yl]acetamide
CID 97160295
[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 9311225
N-butyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 49431649

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide (CID 133355894) is 2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide is NC(=O)CC1CCCN(c2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of 2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide?
The InChIKey is CWLQDSVHKJZWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-13(17)8-10-4-3-7-15(9-10)11-5-1-2-6-12(11)16(18)19/h1-2,5-6,10H,3-4,7-9H2,(H2,14,17).
What are the key properties of 2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide?
2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide has a molecular weight of 263.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-nitrophenyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 133355894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).