N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide

C14H19N3O3 — CID 566520

IUPACN-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-11-5-6-12(17(19)20)9-13(11)15-14(18)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,18)
InChIKeyUSBRMPQUKMRSEV-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.33
Rot. Bonds4

About N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide

N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide (PubChem CID 566520) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide
PubChem CID566520
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C14H19N3O3/c1-11-5-6-12(17(19)20)9-13(11)15-14(18)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,18)
InChIKeyUSBRMPQUKMRSEV-UHFFFAOYSA-N
XLogP2.33
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.33
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

Acea-1328
CID 9816093
2-[3,4-dihydro-1(2H)-quinolinyl]-N-(2-nitrophenyl)acetamide
CID 3512309
3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one
CID 763761
4-(diethylamino)-1-methyl-3-nitroquinolin-2(1H)-one
CID 2863862
2-(Diethylamino)-N-(2-methylphenyl)acetamide
CID 18570
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-(((2-nitrophenyl)methyl)amino)-
CID 454351
2-(2-Methyl-5-nitroanilino)acetohydrazide
CID 820580
N-(2-methyl-5-nitrophenyl)cyclopentanecarboxamide
CID 898570
2-(azepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 972890
2-(4-Acetyl-piperazin-1-yl)-N-(5-fluoro-2-methyl-phenyl)-acetamide
CID 1448807
2-(azepan-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 2461963
N~1~-cyclopentyl-N~2~-(2-methyl-5-nitrophenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2948835

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide (CID 566520) is N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide?
The InChIKey is USBRMPQUKMRSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11-5-6-12(17(19)20)9-13(11)15-14(18)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,15,18).
What are the key properties of N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide?
N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide has a molecular weight of 277.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 566520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).