4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

C16H25ClN2O3 — CID 120601539

IUPAC4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCOCCOc1ccc(C(=O)NC2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12-11-14(7-8-17-12)18-16(19)13-3-5-15(6-4-13)21-10-9-20-2;/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyKZRRBZOBOBCYRL-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.00
Rot. Bonds6

About 4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120601539) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120601539
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCOCCOc1ccc(C(=O)NC2CCNC(C)C2)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12-11-14(7-8-17-12)18-16(19)13-3-5-15(6-4-13)21-10-9-20-2;/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19);1H
InChIKeyKZRRBZOBOBCYRL-UHFFFAOYSA-N
XLogP2.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598414
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120599845
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599625
4-ethoxy-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 120600670
3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601431
4-butoxy-3-ethoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 120601980
2-(4-benzoylphenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600141
4-fluoro-3-(2-methoxyethoxymethyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598082

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120601539) is 4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is COCCOc1ccc(C(=O)NC2CCNC(C)C2)cc1.Cl.
What is the InChIKey of 4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is KZRRBZOBOBCYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-12-11-14(7-8-17-12)18-16(19)13-3-5-15(6-4-13)21-10-9-20-2;/h3-6,12,14,17H,7-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120601539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).