N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide

C20H23N3O3 — CID 55753843

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H23N3O3/c1-15-4-2-3-5-17(15)14-22-12-10-18(11-13-22)21-20(24)16-6-8-19(9-7-16)23(25)26/h2-9,18H,10-14H2,1H3,(H,21,24)
InChIKeyNLTIXFDKZMAUJJ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.30
Rot. Bonds5

About N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide (PubChem CID 55753843) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
PubChem CID55753843
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H23N3O3/c1-15-4-2-3-5-17(15)14-22-12-10-18(11-13-22)21-20(24)16-6-8-19(9-7-16)23(25)26/h2-9,18H,10-14H2,1H3,(H,21,24)
InChIKeyNLTIXFDKZMAUJJ-UHFFFAOYSA-N
XLogP3.30
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.30
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-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide 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-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
1-[(2-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 787263
4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-3-nitro-N-propan-2-ylbenzamide
CID 55830422
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349
3-chloro-4-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 119047224
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide
CID 55753935
N-[4-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 55753716
4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
N-[1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]piperidin-4-yl]benzamide
CID 33103415
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide
CID 42848245

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide (CID 55753843) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide is Cc1ccccc1CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide?
The InChIKey is NLTIXFDKZMAUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-4-2-3-5-17(15)14-22-12-10-18(11-13-22)21-20(24)16-6-8-19(9-7-16)23(25)26/h2-9,18H,10-14H2,1H3,(H,21,24).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide is sourced from PubChem (CID 55753843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).