N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide

C15H21N3O3 — CID 63130967

IUPACN-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccccc2[N+](=O)[O-])CCCNC1
InChIInChI=1S/C15H21N3O3/c1-2-8-15(9-5-10-16-11-15)14(19)17-12-6-3-4-7-13(12)18(20)21/h3-4,6-7,16H,2,5,8-11H2,1H3,(H,17,19)
InChIKeyCLWDIUPKARGXPL-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.70
Rot. Bonds5

About N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide

N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide (PubChem CID 63130967) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide
PubChem CID63130967
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccccc2[N+](=O)[O-])CCCNC1
InChIInChI=1S/C15H21N3O3/c1-2-8-15(9-5-10-16-11-15)14(19)17-12-6-3-4-7-13(12)18(20)21/h3-4,6-7,16H,2,5,8-11H2,1H3,(H,17,19)
InChIKeyCLWDIUPKARGXPL-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
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-nitrophenyl)-3-propylpiperidine-3-carboxamide 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

3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63131107
N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974417
N-(2-ethoxyphenyl)-3-propylpiperidine-3-carboxamide
CID 63132468
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 63132688
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
CID 106954421
3-ethyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 63130968
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392
3-ethyl-N-(4-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63132622
N-[2-(dimethylamino)phenyl]-3-ethylpiperidine-3-carboxamide
CID 63131246
N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide
CID 103094157

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide (CID 63130967) is N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)Nc2ccccc2[N+](=O)[O-])CCCNC1.
What is the InChIKey of N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide?
The InChIKey is CLWDIUPKARGXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-8-15(9-5-10-16-11-15)14(19)17-12-6-3-4-7-13(12)18(20)21/h3-4,6-7,16H,2,5,8-11H2,1H3,(H,17,19).
What are the key properties of N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide?
N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63130967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).