1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide

C20H29FN2O2 — CID 71880040

IUPAC1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2(c3ccc(F)cc3)CCC2)CC1
InChIInChI=1S/C20H29FN2O2/c1-25-14-13-23-11-7-16(8-12-23)15-22-19(24)20(9-2-10-20)17-3-5-18(21)6-4-17/h3-6,16H,2,7-15H2,1H3,(H,22,24)
InChIKeyDBJRELZOWZNJTP-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.72
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide

1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide (PubChem CID 71880040) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
PubChem CID71880040
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC Name1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2(c3ccc(F)cc3)CCC2)CC1
InChIInChI=1S/C20H29FN2O2/c1-25-14-13-23-11-7-16(8-12-23)15-22-19(24)20(9-2-10-20)17-3-5-18(21)6-4-17/h3-6,16H,2,7-15H2,1H3,(H,22,24)
InChIKeyDBJRELZOWZNJTP-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide (CID 71880040) is 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide is COCCN1CCC(CNC(=O)C2(c3ccc(F)cc3)CCC2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide?
The InChIKey is DBJRELZOWZNJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-25-14-13-23-11-7-16(8-12-23)15-22-19(24)20(9-2-10-20)17-3-5-18(21)6-4-17/h3-6,16H,2,7-15H2,1H3,(H,22,24).
What are the key properties of 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide?
1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide has a molecular weight of 348.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 71880040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).