3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

C23H29FN2O2 — CID 47035366

IUPAC3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)CCOc3cccc(F)c3)cc2)C1
InChIInChI=1S/C23H29FN2O2/c1-18-4-3-12-26(16-18)17-20-9-7-19(8-10-20)15-25-23(27)11-13-28-22-6-2-5-21(24)14-22/h2,5-10,14,18H,3-4,11-13,15-17H2,1H3,(H,25,27)
InChIKeyGHYOYHFGHDRKRG-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.14
Rot. Bonds8

About 3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide

3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 47035366) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID47035366
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCC1CCCN(Cc2ccc(CNC(=O)CCOc3cccc(F)c3)cc2)C1
InChIInChI=1S/C23H29FN2O2/c1-18-4-3-12-26(16-18)17-20-9-7-19(8-10-20)15-25-23(27)11-13-28-22-6-2-5-21(24)14-22/h2,5-10,14,18H,3-4,11-13,15-17H2,1H3,(H,25,27)
InChIKeyGHYOYHFGHDRKRG-UHFFFAOYSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 75879898
N-[(3-ethoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43907292
3-(furan-2-yl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 46470241
3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55718087
N-(1-benzylpiperidin-4-yl)-3-(3-fluorophenoxy)propanamide
CID 51113416
4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120595227
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 46465675
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
2-[(2-chlorophenyl)methoxy]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 55839998
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-5-(3-methylphenoxy)pentanamide
CID 56552060
N-[(4-fluorophenyl)methyl]-3-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 25368960

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 47035366) is 3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is CC1CCCN(Cc2ccc(CNC(=O)CCOc3cccc(F)c3)cc2)C1.
What is the InChIKey of 3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is GHYOYHFGHDRKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-18-4-3-12-26(16-18)17-20-9-7-19(8-10-20)15-25-23(27)11-13-28-22-6-2-5-21(24)14-22/h2,5-10,14,18H,3-4,11-13,15-17H2,1H3,(H,25,27).
What are the key properties of 3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 384.50 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 47035366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).