3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride

C14H20ClN3O3 — CID 120601410

IUPAC3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNC(C)C2)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9-7-11(3-4-13(9)17(19)20)14(18)16-12-5-6-15-10(2)8-12;/h3-4,7,10,12,15H,5-6,8H2,1-2H3,(H,16,18);1H
InChIKeyKNYWOOGSRULTDF-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.20
Rot. Bonds3

About 3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride

3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride (PubChem CID 120601410) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
PubChem CID120601410
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCNC(C)C2)ccc1[N+](=O)[O-].Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9-7-11(3-4-13(9)17(19)20)14(18)16-12-5-6-15-10(2)8-12;/h3-4,7,10,12,15H,5-6,8H2,1-2H3,(H,16,18);1H
InChIKeyKNYWOOGSRULTDF-UHFFFAOYSA-N
XLogP2.20
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.20
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'}

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Related Compounds

4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
N-(4-aminocyclohexyl)-3-methyl-4-nitrobenzamide;hydrochloride
CID 119476972
3-methyl-4-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866634
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120602042
5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride
CID 120601078
N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide
CID 106995963
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
2,6-difluoro-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide
CID 106995174
4-methyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55068272
3-methyl-N-(2-methylcyclohexyl)-4-nitrobenzamide
CID 46799090
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride?
The IUPAC name of 3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride (CID 120601410) is 3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride is Cc1cc(C(=O)NC2CCNC(C)C2)ccc1[N+](=O)[O-].Cl.
What is the InChIKey of 3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride?
The InChIKey is KNYWOOGSRULTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-9-7-11(3-4-13(9)17(19)20)14(18)16-12-5-6-15-10(2)8-12;/h3-4,7,10,12,15H,5-6,8H2,1-2H3,(H,16,18);1H.
What are the key properties of 3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride?
3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride is sourced from PubChem (CID 120601410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).