N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide

C14H20N4O3 — CID 106995963

IUPACN-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NC2CCNC(C)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c1-9-7-11(5-6-16-9)17-12-4-3-10(14(19)15-2)8-13(12)18(20)21/h3-4,8-9,11,16-17H,5-7H2,1-2H3,(H,15,19)
InChIKeyTVDBIPQFYJFRSE-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.51
Rot. Bonds4

About N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide

N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide (PubChem CID 106995963) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide
PubChem CID106995963
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NC2CCNC(C)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O3/c1-9-7-11(5-6-16-9)17-12-4-3-10(14(19)15-2)8-13(12)18(20)21/h3-4,8-9,11,16-17H,5-7H2,1-2H3,(H,15,19)
InChIKeyTVDBIPQFYJFRSE-UHFFFAOYSA-N
XLogP1.51
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.51
H-Bond Donors ≤ 53
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-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-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

4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
4-[(2-cyclopropyloxan-4-yl)amino]-N-methyl-3-nitrobenzamide
CID 133473610
N-methyl-3-nitro-4-[(5-oxopyrrolidin-3-yl)amino]benzamide
CID 103952523
3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
CID 120601410
N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide
CID 78983634
N,N-dimethyl-3-nitro-4-(piperidin-4-ylamino)benzamide
CID 82993215
4-(cyclopropylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450971
3-nitro-4-(piperidin-4-ylamino)benzoic acid
CID 22120364
4-[[(8R)-1,4-dioxaspiro[4.4]nonan-8-yl]amino]-N-methyl-3-nitrobenzamide
CID 97259594
N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine
CID 106996155
2-[(2-methylpiperidin-4-yl)amino]-5-nitrobenzamide
CID 106996191
4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 115670988

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide?
The IUPAC name of N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide (CID 106995963) is N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide.
What is the SMILES notation for N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide?
The canonical SMILES for N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide is CNC(=O)c1ccc(NC2CCNC(C)C2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide?
The InChIKey is TVDBIPQFYJFRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-7-11(5-6-16-9)17-12-4-3-10(14(19)15-2)8-13(12)18(20)21/h3-4,8-9,11,16-17H,5-7H2,1-2H3,(H,15,19).
What are the key properties of N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide?
N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide has a molecular weight of 292.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide is sourced from PubChem (CID 106995963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).