3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide

C23H29FN2O2 — CID 60599829

IUPAC3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCOc1ccc(CN2CCC(CNC(=O)CCc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C23H29FN2O2/c1-28-22-8-5-20(6-9-22)17-26-13-11-19(12-14-26)16-25-23(27)10-7-18-3-2-4-21(24)15-18/h2-6,8-9,15,19H,7,10-14,16-17H2,1H3,(H,25,27)
InChIKeyPPBBGNKWYBOVHN-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.80
Rot. Bonds8

About 3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide

3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide (PubChem CID 60599829) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
PubChem CID60599829
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCOc1ccc(CN2CCC(CNC(=O)CCc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C23H29FN2O2/c1-28-22-8-5-20(6-9-22)17-26-13-11-19(12-14-26)16-25-23(27)10-7-18-3-2-4-21(24)15-18/h2-6,8-9,15,19H,7,10-14,16-17H2,1H3,(H,25,27)
InChIKeyPPBBGNKWYBOVHN-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methylguanidine
CID 111395715
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
3-(3-methoxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 110737506
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
3-(3-methoxyphenyl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932878
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 3242260
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903542
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46402981
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
4-(cyclohexylcarbamoylamino)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]butanamide
CID 52785512

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide (CID 60599829) is 3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide is COc1ccc(CN2CCC(CNC(=O)CCc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is PPBBGNKWYBOVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-28-22-8-5-20(6-9-22)17-26-13-11-19(12-14-26)16-25-23(27)10-7-18-3-2-4-21(24)15-18/h2-6,8-9,15,19H,7,10-14,16-17H2,1H3,(H,25,27).
What are the key properties of 3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide?
3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 384.50 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 60599829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).