N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide

C15H21N3O3 — CID 103109432

IUPACN-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide
SMILESCc1c(CNC(=O)CC2CCNCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-11-13(3-2-4-14(11)18(20)21)10-17-15(19)9-12-5-7-16-8-6-12/h2-4,12,16H,5-10H2,1H3,(H,17,19)
InChIKeyBLKSEFNCGSGPTM-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.91
Rot. Bonds5

About N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide

N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide (PubChem CID 103109432) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide
PubChem CID103109432
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide
SMILESCc1c(CNC(=O)CC2CCNCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-11-13(3-2-4-14(11)18(20)21)10-17-15(19)9-12-5-7-16-8-6-12/h2-4,12,16H,5-10H2,1H3,(H,17,19)
InChIKeyBLKSEFNCGSGPTM-UHFFFAOYSA-N
XLogP1.91
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.91
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'}

Analyze N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methyl-3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide
CID 103109348
N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 103109325
(2S)-N-[(2-methyl-3-nitrophenyl)methyl]piperidine-2-carboxamide
CID 103109314
N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103113652
5-hydroxy-N-[(2-methyl-3-nitrophenyl)methyl]pentanamide
CID 103113657
1-[(2-methyl-3-nitrophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 103113094
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-nitrophenyl)methyl]acetamide
CID 119706783
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
2-(2-methoxyethylamino)-N-[(2-methyl-3-nitrophenyl)methyl]acetamide
CID 103109333
2-[(2-methyl-3-nitrophenyl)methylamino]ethylurea
CID 83113507
2-amino-N-[(2-methyl-3-nitrophenyl)methyl]cyclopentane-1-carboxamide
CID 103109475
2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9395610

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide (CID 103109432) is N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide is Cc1c(CNC(=O)CC2CCNCC2)cccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide?
The InChIKey is BLKSEFNCGSGPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-13(3-2-4-14(11)18(20)21)10-17-15(19)9-12-5-7-16-8-6-12/h2-4,12,16H,5-10H2,1H3,(H,17,19).
What are the key properties of N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide?
N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide has a molecular weight of 291.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-nitrophenyl)methyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 103109432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).