N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide

C20H29FN2O2 — CID 91907755

IUPACN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O2/c21-19-3-1-2-18(12-19)15-23-8-4-17(5-9-23)14-22-20(24)13-16-6-10-25-11-7-16/h1-3,12,16-17H,4-11,13-15H2,(H,22,24)
InChIKeyVAQSJNKCOCCWRO-UHFFFAOYSA-N
MW348.46 g/mol
LogP2.97
Rot. Bonds6

About N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide

N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide (PubChem CID 91907755) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
PubChem CID91907755
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O2/c21-19-3-1-2-18(12-19)15-23-8-4-17(5-9-23)14-22-20(24)13-16-6-10-25-11-7-16/h1-3,12,16-17H,4-11,13-15H2,(H,22,24)
InChIKeyVAQSJNKCOCCWRO-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-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide (CID 91907755) is N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NCC1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is VAQSJNKCOCCWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c21-19-3-1-2-18(12-19)15-23-8-4-17(5-9-23)14-22-20(24)13-16-6-10-25-11-7-16/h1-3,12,16-17H,4-11,13-15H2,(H,22,24).
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide?
N-[[1-[(3-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-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 91907755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).