N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide

C20H21N3O4 — CID 4939305

IUPACN-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H21N3O4/c1-14-10-12-22(13-11-14)20(25)17-4-2-3-5-18(17)21-19(24)15-6-8-16(9-7-15)23(26)27/h2-9,14H,10-13H2,1H3,(H,21,24)
InChIKeyNYAOJKICUBIXSD-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.72
Rot. Bonds4

About N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide

N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide (PubChem CID 4939305) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
PubChem CID4939305
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C20H21N3O4/c1-14-10-12-22(13-11-14)20(25)17-4-2-3-5-18(17)21-19(24)15-6-8-16(9-7-15)23(26)27/h2-9,14H,10-13H2,1H3,(H,21,24)
InChIKeyNYAOJKICUBIXSD-UHFFFAOYSA-N
XLogP3.72
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.72
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'}

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Related Compounds

4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
[2-(2,4-dinitroanilino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 4939456
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-prop-2-enoxybenzamide
CID 4945241
4-butan-2-yloxy-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17141296
2-[2-(4-methylpiperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607156
ethyl 2-[[4-(4-methylpiperidine-1-carbonyl)benzoyl]amino]benzoate
CID 109044984
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]-4-nitrobenzamide
CID 17179803
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87031001

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide?
The IUPAC name of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide (CID 4939305) is N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide is CC1CCN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide?
The InChIKey is NYAOJKICUBIXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14-10-12-22(13-11-14)20(25)17-4-2-3-5-18(17)21-19(24)15-6-8-16(9-7-15)23(26)27/h2-9,14H,10-13H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide?
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide has a molecular weight of 367.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-nitrobenzamide is sourced from PubChem (CID 4939305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).