2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride

C15H22ClN3O3 — CID 119474115

IUPAC2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)NC(C)C1CCCNC1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10-8-13(18(20)21)5-6-14(10)15(19)17-11(2)12-4-3-7-16-9-12;/h5-6,8,11-12,16H,3-4,7,9H2,1-2H3,(H,17,19);1H
InChIKeyHRUBXHDGSATCCJ-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.44
Rot. Bonds4

About 2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride

2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119474115) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119474115
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)NC(C)C1CCCNC1.Cl
InChIInChI=1S/C15H21N3O3.ClH/c1-10-8-13(18(20)21)5-6-14(10)15(19)17-11(2)12-4-3-7-16-9-12;/h5-6,8,11-12,16H,3-4,7,9H2,1-2H3,(H,17,19);1H
InChIKeyHRUBXHDGSATCCJ-UHFFFAOYSA-N
XLogP2.44
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

2-methyl-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462651
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970419
3-chloro-5-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473927
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970420
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 55144400
4-methyl-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119473981
2-hydroxy-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523069
2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 103806068
4-fluoro-2-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014713
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
2-fluoro-4-methoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474156
2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473892

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119474115) is 2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride is Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)C1CCCNC1.Cl.
What is the InChIKey of 2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is HRUBXHDGSATCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c1-10-8-13(18(20)21)5-6-14(10)15(19)17-11(2)12-4-3-7-16-9-12;/h5-6,8,11-12,16H,3-4,7,9H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119474115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).