2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide

C15H21N3O3 — CID 171704776

IUPAC2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-2-13-7-3-4-9-17(13)11-15(19)16-12-6-5-8-14(10-12)18(20)21/h5-6,8,10,13H,2-4,7,9,11H2,1H3,(H,16,19)
InChIKeyVUKYUDNMVCIIHA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.80
Rot. Bonds5

About 2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide

2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide (PubChem CID 171704776) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
PubChem CID171704776
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H21N3O3/c1-2-13-7-3-4-9-17(13)11-15(19)16-12-6-5-8-14(10-12)18(20)21/h5-6,8,10,13H,2-4,7,9,11H2,1H3,(H,16,19)
InChIKeyVUKYUDNMVCIIHA-UHFFFAOYSA-N
XLogP2.80
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.80
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

N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide
CID 47104594
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
N-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 9135283
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46800759
N-(3-acetamidophenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032765
2-cyclohexyl-N-(3-nitrophenyl)acetamide
CID 1121006

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide (CID 171704776) is 2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide is CCC1CCCCN1CC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
The InChIKey is VUKYUDNMVCIIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-13-7-3-4-9-17(13)11-15(19)16-12-6-5-8-14(10-12)18(20)21/h5-6,8,10,13H,2-4,7,9,11H2,1H3,(H,16,19).
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide?
2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 171704776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).