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

C15H21N3O3 — CID 103145405

IUPACN-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)CC1CCNCC1
InChIInChI=1S/C15H21N3O3/c1-10-8-14(18(20)21)11(2)7-13(10)17-15(19)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyJORMDOWCUKJGEE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.54
Rot. Bonds4

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

N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide (PubChem CID 103145405) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide
PubChem CID103145405
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide
SMILESCc1cc([N+](=O)[O-])c(C)cc1NC(=O)CC1CCNCC1
InChIInChI=1S/C15H21N3O3/c1-10-8-14(18(20)21)11(2)7-13(10)17-15(19)9-12-3-5-16-6-4-12/h7-8,12,16H,3-6,9H2,1-2H3,(H,17,19)
InChIKeyJORMDOWCUKJGEE-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-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide
CID 62098447
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029345
N-(2,5-dimethyl-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 103145465
2-(cyclopentylamino)-N-(2,5-dimethyl-4-nitrophenyl)acetamide
CID 103145357
N-(4-bromo-2-methylphenyl)-2-piperidin-4-ylacetamide
CID 54910115
3-(cyclopropylamino)-N-(2,5-dimethyl-4-nitrophenyl)propanamide
CID 103145444
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
2-(cyclopropylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572270
4-amino-N-(2,5-dimethyl-4-nitrophenyl)cyclohexane-1-carboxamide
CID 103145443
N-(2-hydroxy-3-methylphenyl)-2-piperidin-4-ylacetamide
CID 79602863
N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119725801
N-(3-nitrophenyl)-2-piperidin-4-ylacetamide
CID 119670753

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide (CID 103145405) is N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide is Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)CC1CCNCC1.
What is the InChIKey of N-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide?
The InChIKey is JORMDOWCUKJGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-8-14(18(20)21)11(2)7-13(10)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-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide?
N-(2,5-dimethyl-4-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-(2,5-dimethyl-4-nitrophenyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 103145405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).