2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

C18H28N2O3 — CID 35416174

IUPAC2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCN2CCC(C)CC2)c1OC
InChIInChI=1S/C18H28N2O3/c1-14-8-12-20(13-9-14)11-5-10-19-18(21)15-6-4-7-16(22-2)17(15)23-3/h4,6-7,14H,5,8-13H2,1-3H3,(H,19,21)
InChIKeyJSGORCPMOLXVJG-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.56
Rot. Bonds7

About 2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 35416174) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID35416174
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCCN2CCC(C)CC2)c1OC
InChIInChI=1S/C18H28N2O3/c1-14-8-12-20(13-9-14)11-5-10-19-18(21)15-6-4-7-16(22-2)17(15)23-3/h4,6-7,14H,5,8-13H2,1-3H3,(H,19,21)
InChIKeyJSGORCPMOLXVJG-UHFFFAOYSA-N
XLogP2.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]naphthalene-1-carboxamide
CID 112844412
2-amino-6-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 81393736
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
N-[3-(2-bromoethoxy)propyl]-2,3-dimethoxybenzamide
CID 106307155
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 35416174) is 2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is COc1cccc(C(=O)NCCCN2CCC(C)CC2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is JSGORCPMOLXVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14-8-12-20(13-9-14)11-5-10-19-18(21)15-6-4-7-16(22-2)17(15)23-3/h4,6-7,14H,5,8-13H2,1-3H3,(H,19,21).
What are the key properties of 2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 320.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 35416174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).