2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride

C17H29Cl2N3O2 — CID 120557456

IUPAC2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)c1ccccc1OCCN(C)C.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-13-12-18-9-8-15(13)19-17(21)14-6-4-5-7-16(14)22-11-10-20(2)3;;/h4-7,13,15,18H,8-12H2,1-3H3,(H,19,21);2*1H
InChIKeyOTAOQFXOLDJSRA-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.20
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride

2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride (PubChem CID 120557456) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride
PubChem CID120557456
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)c1ccccc1OCCN(C)C.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-13-12-18-9-8-15(13)19-17(21)14-6-4-5-7-16(14)22-11-10-20(2)3;;/h4-7,13,15,18H,8-12H2,1-3H3,(H,19,21);2*1H
InChIKeyOTAOQFXOLDJSRA-UHFFFAOYSA-N
XLogP2.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)ethoxy]-N-(2-methylpiperidin-3-yl)benzamide
CID 120576854
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120556122
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(3-methylpiperidin-4-yl)benzamide
CID 120555110
2-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553364
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120558034
2-benzamido-N-(3-methylpiperidin-4-yl)benzamide
CID 120557141
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
CID 124516888
2-methoxy-N-[(3R,4S)-3-methoxypiperidin-4-yl]benzamide
CID 58025543

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride (CID 120557456) is 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride is CC1CNCCC1NC(=O)c1ccccc1OCCN(C)C.Cl.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride?
The InChIKey is OTAOQFXOLDJSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-13-12-18-9-8-15(13)19-17(21)14-6-4-5-7-16(14)22-11-10-20(2)3;;/h4-7,13,15,18H,8-12H2,1-3H3,(H,19,21);2*1H.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride?
2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-N-(3-methylpiperidin-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120557456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).