2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

C17H25FN2O3 — CID 120888755

IUPAC2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCCOc1c(F)cccc1C(=O)NCC1(COC)CCNCC1
InChIInChI=1S/C17H25FN2O3/c1-3-23-15-13(5-4-6-14(15)18)16(21)20-11-17(12-22-2)7-9-19-10-8-17/h4-6,19H,3,7-12H2,1-2H3,(H,20,21)
InChIKeyDDTDHPGEUSQXKP-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.97
Rot. Bonds7

About 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide

2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 120888755) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
PubChem CID120888755
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
SMILESCCOc1c(F)cccc1C(=O)NCC1(COC)CCNCC1
InChIInChI=1S/C17H25FN2O3/c1-3-23-15-13(5-4-6-14(15)18)16(21)20-11-17(12-22-2)7-9-19-10-8-17/h4-6,19H,3,7-12H2,1-2H3,(H,20,21)
InChIKeyDDTDHPGEUSQXKP-UHFFFAOYSA-N
XLogP1.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide 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-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498
2-(2-fluoroanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyridine-3-carboxamide;dihydrochloride
CID 120890702
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888588
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
2-(2-amino-2-oxoethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120892177
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide (CID 120888755) is 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is CCOc1c(F)cccc1C(=O)NCC1(COC)CCNCC1.
What is the InChIKey of 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is DDTDHPGEUSQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-3-23-15-13(5-4-6-14(15)18)16(21)20-11-17(12-22-2)7-9-19-10-8-17/h4-6,19H,3,7-12H2,1-2H3,(H,20,21).
What are the key properties of 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide?
2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 324.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 120888755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).