N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

C23H29FN2O3 — CID 23723676

IUPACN-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3ccc(F)c(OC)c3)C2)cc1
InChIInChI=1S/C23H29FN2O3/c1-28-20-8-5-17(6-9-20)13-23(27)25-14-19-4-3-11-26(16-19)15-18-7-10-21(24)22(12-18)29-2/h5-10,12,19H,3-4,11,13-16H2,1-2H3,(H,25,27)
InChIKeyBDOFEGRUUGOLAZ-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.41
Rot. Bonds8

About N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 23723676) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID23723676
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC NameN-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCCN(Cc3ccc(F)c(OC)c3)C2)cc1
InChIInChI=1S/C23H29FN2O3/c1-28-20-8-5-17(6-9-20)13-23(27)25-14-19-4-3-11-26(16-19)15-18-7-10-21(24)22(12-18)29-2/h5-10,12,19H,3-4,11,13-16H2,1-2H3,(H,25,27)
InChIKeyBDOFEGRUUGOLAZ-UHFFFAOYSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 23723676) is N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC2CCCN(Cc3ccc(F)c(OC)c3)C2)cc1.
What is the InChIKey of N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is BDOFEGRUUGOLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-28-20-8-5-17(6-9-20)13-23(27)25-14-19-4-3-11-26(16-19)15-18-7-10-21(24)22(12-18)29-2/h5-10,12,19H,3-4,11,13-16H2,1-2H3,(H,25,27).
What are the key properties of N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 400.49 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 23723676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).