3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C17H27ClN2O3 — CID 120555078

IUPAC3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCOCCCOc1cccc(C(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-13-12-18-8-7-16(13)19-17(20)14-5-3-6-15(11-14)22-10-4-9-21-2;/h3,5-6,11,13,16,18H,4,7-10,12H2,1-2H3,(H,19,20);1H
InChIKeyUARFCPGKDPGNHG-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.25
Rot. Bonds7

About 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120555078) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120555078
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCOCCCOc1cccc(C(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-13-12-18-8-7-16(13)19-17(20)14-5-3-6-15(11-14)22-10-4-9-21-2;/h3,5-6,11,13,16,18H,4,7-10,12H2,1-2H3,(H,19,20);1H
InChIKeyUARFCPGKDPGNHG-UHFFFAOYSA-N
XLogP2.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;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-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 113457504
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553316
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500
3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441938

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120555078) is 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is COCCCOc1cccc(C(=O)NC2CCNCC2C)c1.Cl.
What is the InChIKey of 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is UARFCPGKDPGNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-13-12-18-8-7-16(13)19-17(20)14-5-3-6-15(11-14)22-10-4-9-21-2;/h3,5-6,11,13,16,18H,4,7-10,12H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120555078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).