N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide

C19H21N3O4 — CID 2943002

IUPACN-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H21N3O4/c1-26-16-7-5-6-15(13-16)20-19(23)14-8-9-17(18(12-14)22(24)25)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11H2,1H3,(H,20,23)
InChIKeyDNBUQRJDGBTTEP-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.85
Rot. Bonds5

About N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide

N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide (PubChem CID 2943002) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide
PubChem CID2943002
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H21N3O4/c1-26-16-7-5-6-15(13-16)20-19(23)14-8-9-17(18(12-14)22(24)25)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11H2,1H3,(H,20,23)
InChIKeyDNBUQRJDGBTTEP-UHFFFAOYSA-N
XLogP3.85
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide 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

Cinitapride
CID 68867
Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457069
N-(4-methoxy-2-nitrophenyl)benzamide
CID 274249
Benzamide, N-(2-(diethylamino)ethyl)-4-(dimethylamino)-2-methoxy-5-nitro-, monohydrochloride
CID 2829605
N-(2,5-Dimethoxyphenyl)-4-nitrobenzamide
CID 532160
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
4-{[3-(3,5-dimethylpiperidin-1-yl)propyl]amino}-N-(3-methoxyphenyl)-3-nitrobenzamide
CID 16194189
N-(3-methoxyphenyl)-3-(4-nitrophenyl)-3-oxopropanamide
CID 829367
3-[(3-Methoxyphenyl)amino]-1-(3-nitrophenyl)-1-propanone
CID 877418
4-methoxy-N-{2-[(2-nitrophenyl)amino]ethyl}benzamide
CID 2957272
4-{4-(Dimethylamino)-5-nitro-2-methoxybenzoyl}morpholine
CID 3116827
4-(4-Methoxyanilino)-3-nitrobenzamide
CID 4883496

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide?
The IUPAC name of N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide (CID 2943002) is N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide is COc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide?
The InChIKey is DNBUQRJDGBTTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-16-7-5-6-15(13-16)20-19(23)14-8-9-17(18(12-14)22(24)25)21-10-3-2-4-11-21/h5-9,12-13H,2-4,10-11H2,1H3,(H,20,23).
What are the key properties of N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide?
N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide has a molecular weight of 355.39 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-nitro-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 2943002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).