N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide

C20H29FN2O2 — CID 91907753

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H29FN2O2/c21-19-4-2-1-3-18(19)15-23-9-5-17(6-10-23)14-22-20(24)13-16-7-11-25-12-8-16/h1-4,16-17H,5-15H2,(H,22,24)
InChIKeyJVWLTKYVJMGQCI-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.97
Rot. Bonds6

About N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 91907753) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID91907753
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C20H29FN2O2/c21-19-4-2-1-3-18(19)15-23-9-5-17(6-10-23)14-22-20(24)13-16-7-11-25-12-8-16/h1-4,16-17H,5-15H2,(H,22,24)
InChIKeyJVWLTKYVJMGQCI-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide (CID 91907753) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NCC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is JVWLTKYVJMGQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-19-4-2-1-3-18(19)15-23-9-5-17(6-10-23)14-22-20(24)13-16-7-11-25-12-8-16/h1-4,16-17H,5-15H2,(H,22,24).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 348.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 91907753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).