N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide

C15H21N3O3 — CID 62098447

IUPACN-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide
SMILESCc1cc(NC(=O)CC2CCNCC2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C15H21N3O3/c1-10-7-13(14(18(20)21)8-11(10)2)17-15(19)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyUTZNRJXINCWLDX-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.54
Rot. Bonds4

About N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide

N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide (PubChem CID 62098447) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide
PubChem CID62098447
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide
SMILESCc1cc(NC(=O)CC2CCNCC2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C15H21N3O3/c1-10-7-13(14(18(20)21)8-11(10)2)17-15(19)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyUTZNRJXINCWLDX-UHFFFAOYSA-N
XLogP2.54
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.54
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

N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 103145405
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029345
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
2-cyclohexylsulfanyl-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 8705844
3-(cyclopropylamino)-N-(4,5-dimethyl-2-nitrophenyl)propanamide
CID 62098274
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
N-(4-bromo-2-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 62211932
N-(2-hydroxy-3-methylphenyl)-2-piperidin-4-ylacetamide
CID 79602863
N-(4,5-dimethyl-2-nitrophenyl)-2-(propan-2-ylamino)acetamide
CID 60641044
N-(3-nitrophenyl)-2-piperidin-4-ylacetamide
CID 119670753
N-(2-methoxy-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 24692557
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
CID 3930220

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide (CID 62098447) is N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide is Cc1cc(NC(=O)CC2CCNCC2)c([N+](=O)[O-])cc1C.
What is the InChIKey of N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide?
The InChIKey is UTZNRJXINCWLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-7-13(14(18(20)21)8-11(10)2)17-15(19)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3,(H,17,19).
What are the key properties of N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide?
N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide has a molecular weight of 291.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 62098447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).