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

C15H22ClN3O4 — CID 120577814

IUPAC4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NC2CCCNC2C)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-3-22-14-7-6-11(9-13(14)18(20)21)15(19)17-12-5-4-8-16-10(12)2;/h6-7,9-10,12,16H,3-5,8H2,1-2H3,(H,17,19);1H
InChIKeyYHQARKNLZQWLOI-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.29
Rot. Bonds5

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

4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride (PubChem CID 120577814) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
PubChem CID120577814
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Name4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NC2CCCNC2C)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-3-22-14-7-6-11(9-13(14)18(20)21)15(19)17-12-5-4-8-16-10(12)2;/h6-7,9-10,12,16H,3-5,8H2,1-2H3,(H,17,19);1H
InChIKeyYHQARKNLZQWLOI-UHFFFAOYSA-N
XLogP2.29
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.29
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-amino-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120576187
4-ethoxy-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512043
4-ethoxy-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide
CID 120555572
cis-(1R,3S)-3-[(4-ethoxy-3-nitrobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678076
3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride
CID 120574220
4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574690
3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride
CID 120575515
3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
CID 120573745
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-ethoxy-3-nitrobenzoate
CID 9388576
N-[(3S,5S)-3,5-dimethyl-1-adamantyl]-4-ethoxy-3-nitrobenzamide
CID 98182397

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride?
The IUPAC name of 4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride (CID 120577814) is 4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride.
What is the SMILES notation for 4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride?
The canonical SMILES for 4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride is CCOc1ccc(C(=O)NC2CCCNC2C)cc1[N+](=O)[O-].Cl.
What is the InChIKey of 4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride?
The InChIKey is YHQARKNLZQWLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.ClH/c1-3-22-14-7-6-11(9-13(14)18(20)21)15(19)17-12-5-4-8-16-10(12)2;/h6-7,9-10,12,16H,3-5,8H2,1-2H3,(H,17,19);1H.
What are the key properties of 4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride?
4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride is sourced from PubChem (CID 120577814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).