5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C15H22ClN3O3 — CID 119556879

IUPAC5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1ccc([N+](=O)[O-])c(C(=O)NCCC2CCCNC2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-11-4-5-14(18(20)21)13(9-11)15(19)17-8-6-12-3-2-7-16-10-12;/h4-5,9,12,16H,2-3,6-8,10H2,1H3,(H,17,19);1H
InChIKeyHYWRTMQXFISKPS-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.44
Rot. Bonds5

About 5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119556879) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119556879
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1ccc([N+](=O)[O-])c(C(=O)NCCC2CCCNC2)c1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-11-4-5-14(18(20)21)13(9-11)15(19)17-8-6-12-3-2-7-16-10-12;/h4-5,9,12,16H,2-3,6-8,10H2,1H3,(H,17,19);1H
InChIKeyHYWRTMQXFISKPS-UHFFFAOYSA-N
XLogP2.44
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.44
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

5-methylsulfanyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557437
5-fluoro-3-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119558950
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
2-amino-5-methyl-3-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536275
5-methyl-4-nitro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119557591
5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 65461649
2-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 119557297
3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
2-(2,5-dimethylphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 62538178
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
N-(2-cyclopentylethyl)-5-(methylamino)-2-nitrobenzamide
CID 62180578
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119556879) is 5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cc1ccc([N+](=O)[O-])c(C(=O)NCCC2CCCNC2)c1.Cl.
What is the InChIKey of 5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is HYWRTMQXFISKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-11-4-5-14(18(20)21)13(9-11)15(19)17-8-6-12-3-2-7-16-10-12;/h4-5,9,12,16H,2-3,6-8,10H2,1H3,(H,17,19);1H.
What are the key properties of 5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119556879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).