3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C17H27ClN2O3 — CID 119441938

IUPAC3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOCCCOc1cccc(C(=O)N(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-19(15-7-9-18-10-8-15)17(20)14-5-3-6-16(13-14)22-12-4-11-21-2;/h3,5-6,13,15,18H,4,7-12H2,1-2H3;1H
InChIKeyPUGJDBRHMWPQOZ-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.35
Rot. Bonds7

About 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119441938) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119441938
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOCCCOc1cccc(C(=O)N(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-19(15-7-9-18-10-8-15)17(20)14-5-3-6-16(13-14)22-12-4-11-21-2;/h3,5-6,13,15,18H,4,7-12H2,1-2H3;1H
InChIKeyPUGJDBRHMWPQOZ-UHFFFAOYSA-N
XLogP2.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride 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

3-(2-methoxyethoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119441131
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
4-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119443722
4-(3-methoxypropoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552321
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
N-methyl-N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119442827
2-[cyclopropyl-[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119202865
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119441938) is 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is COCCCOc1cccc(C(=O)N(C)C2CCNCC2)c1.Cl.
What is the InChIKey of 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is PUGJDBRHMWPQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-19(15-7-9-18-10-8-15)17(20)14-5-3-6-16(13-14)22-12-4-11-21-2;/h3,5-6,13,15,18H,4,7-12H2,1-2H3;1H.
What are the key properties of 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119441938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).