N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide

C15H21N3O3 — CID 62210857

IUPACN-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide
SMILESCN(C(=O)CCC1CCCCN1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O3/c1-17(13-6-8-14(9-7-13)18(20)21)15(19)10-5-12-4-2-3-11-16-12/h6-9,12,16H,2-5,10-11H2,1H3
InChIKeyQLQIDFMKWLBZQH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.48
Rot. Bonds5

About N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide

N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide (PubChem CID 62210857) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide
PubChem CID62210857
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide
SMILESCN(C(=O)CCC1CCCCN1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O3/c1-17(13-6-8-14(9-7-13)18(20)21)15(19)10-5-12-4-2-3-11-16-12/h6-9,12,16H,2-5,10-11H2,1H3
InChIKeyQLQIDFMKWLBZQH-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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'}

Analyze N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide 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-methyl-N-phenyl-3-piperidin-2-ylpropanamide
CID 62211013
N-(4-bromophenyl)-N-methyl-2-piperidin-2-ylacetamide
CID 115160465
2-cyclopentyloxy-N-methyl-N-(4-nitrophenyl)acetamide
CID 75415358
N-(3-methoxyphenyl)-N-methyl-3-piperidin-2-ylpropanamide
CID 62211493
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
N-(2-hydroxy-4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 107744396
2-(1,4-diazepan-1-yl)-N-methyl-N-(4-nitrophenyl)acetamide;hydrochloride
CID 119906424
5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
CID 28971596
N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106623067
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106607399
N-methyl-N-(4-nitrophenyl)octanamide
CID 71368131
5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide
CID 107907357

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide (CID 62210857) is N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide is CN(C(=O)CCC1CCCCN1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide?
The InChIKey is QLQIDFMKWLBZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(13-6-8-14(9-7-13)18(20)21)15(19)10-5-12-4-2-3-11-16-12/h6-9,12,16H,2-5,10-11H2,1H3.
What are the key properties of N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide?
N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62210857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).